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Vitas-M small molecule compound

ethyl 5-(acetyloxy)-6-bromo-1-(4-bromophenyl)-2-[(carbamimidoylsulfanyl)methyl]-1H-indole-3-carboxylate

Catalog ID
STK570028
SMILES CCOC(=O)c1c(CSC(=N)N)n(c2c1cc(OC(=O)C)c(c2)Br)c1ccc(cc1)Br

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C21H19Br2N3O4S MW 569.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Br2N3O4S/c1-3-29-20(28)19-14-8-18(30-11(2)27)15(23)9-16(14)26(17(19)10-31-21(24)25)13-6-4-12(22)5-7-13/h4-9H,3,10H2,1-2H3,(H3,24,25)
InChIKey
OXPGXCQFUDLETC-UHFFFAOYSA-N
Synonyms

5ACETOXY2((AMIDINOTHIO)METHYL)6BROMO1(4BROMOPHENYL)INDOLE3CARBOXYLICACIDETHYLESTERHYDROBROMIDE
5ACETYLOXY6BROMO1(4BROMOPHENYL)2((CARBAMIMIDOYLTHIO)METHYL)3INDOLECARBOXYLICACIDETHYLESTERHYDROBROMIDE
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=C(C=C3)Br)CSC(=N)N
CCOC(=O)c1c(CSC(=N)N)n(c2c1cc(OC(=O)C)c(c2)Br)c1ccc(cc1)BrBr
ETHYL5(ACETYLOXY)2(((AMINO(IMINO)METHYL)SULFANYL)METHYL)6BROMO1(4BROMOPHENYL)1HINDOLE3CARBOXYLATE
ETHYL5(ACETYLOXY)2(((AMINO(IMINO)METHYL)THIO)METHYL)6BROMO1(4BROMOPHENYL)1HINDOLE3CARBOXYLATEHYDROBROMIDE
ethyl5(acetyloxy)6bromo1(4bromophenyl)2((carbamimidoylsulfanyl)methyl)1Hindole3carboxylate
ethyl5acetoxy6bromo1(4bromophenyl)2((carbamimidoylthio)methyl)1Hindole3carboxylatehydrobromide
ETHYL5ACETYLOXY6BROMANYL1(4BROMOPHENYL)2(CARBAMIMIDOYLSULFANYLMETHYL)INDOLE3CARBOXYLATEHYDROBROMIDE
ETHYL5ACETYLOXY6BROMO1(4BROMOPHENYL)2(CARBAMIMIDOYLSULFANYLMETHYL)INDOLE3CARBOXYLATE
ETHYL5ACETYLOXY6BROMO1(4BROMOPHENYL)2(CARBAMIMIDOYLSULFANYLMETHYL)INDOLE3CARBOXYLATEHYDROBROMIDE
InChI=1SC21H19Br2N3O4Sc132920(28)1914818(3011(2)27)15(23)916(14)26(17(19)103121(24)25)136412(22)5713h49H310H212H3(H32425)
MFCD05739699
ZINC000008453915
ZINC08453915
ZINC8453915

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Available files

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