Vitas-M small molecule compound
ethyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-(4-methoxyphenyl)-1H-indole-3-carboxylate
Catalog ID
STK832854
SMILES CCOC(=O)c1c(CSC(=N)N)n(c2c1cc(OC(=O)C)c(c2)Br)c1ccc(cc1)OC
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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 C22H22BrN3O5S MW 520.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN3O5S/c1-4-30-21(28)20-15-9-19(31-12(2)27)16(23)10-17(15)26(18(20)11-32-22(24)25)13-5-7-14(29-3)8-6-13/h5-10H,4,11H2,1-3H3,(H3,24,25)InChIKey
PPKVFGKXFOWPSC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=C(C=C3)OC)CSC(=N)N
CCOC(=O)c1c(CSC(=N)N)n(c2c1cc(OC(=O)C)c(c2)Br)c1ccc(cc1)OCBr
ETHYL5(ACETYLOXY)2(((AMINO(IMINO)METHYL)SULFANYL)METHYL)6BROMO1(4METHOXYPHENYL)1HINDOLE3CARBOXYLATE
ethyl5(acetyloxy)6bromo2((carbamimidoylsulfanyl)methyl)1(4methoxyphenyl)1Hindole3carboxylate
ethyl5acetoxy6bromo2((carbamimidoylthio)methyl)1(4methoxyphenyl)1Hindole3carboxylatehydrobromide
ETHYL5ACETYLOXY6BROMO2(CARBAMIMIDOYLSULFANYLMETHYL)1(4METHOXYPHENYL)INDOLE3CARBOXYLATE
InChI=1SC22H22BrN3O5Sc143021(28)2015919(3112(2)27)16(23)1017(15)26(18(20)113222(24)25)135714(293)8613h510H411H213H3(H32425)
MFCD01852588
ZINC000008453900
ZINC8453900
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