Vitas-M small molecule compound
octyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-methyl-1H-indole-3-carboxylate
Catalog ID
STK526524
SMILES CCCCCCCCOC(=O)c1c(CSC(=N)N)n(c2c1cc(OC(=O)C)c(c2)Br)C
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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 C22H30BrN3O4S MW 512.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30BrN3O4S/c1-4-5-6-7-8-9-10-29-21(28)20-15-11-19(30-14(2)27)16(23)12-17(15)26(3)18(20)13-31-22(24)25/h11-12H,4-10,13H2,1-3H3,(H3,24,25)InChIKey
VZWKDYHNAFXALD-UHFFFAOYSA-NSynonyms
5ACETOXY2((AMIDINOTHIO)METHYL)6BROMO1METHYLINDOLE3CARBOXYLICACIDOCTYLESTERHYDROBROMIDE
5ACETOXY6BROMO2CARBAMIMIDOYLSULFANYLMETHYL1METHYL1HINDOLE3CARBOXYLICACIDOCTYLESTER
5ACETYLOXY6BROMO2((CARBAMIMIDOYLTHIO)METHYL)1METHYL3INDOLECARBOXYLICACIDOCTYLESTERHYDROBROMIDE
CCCCCCCCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC(=N)N
CCCCCCCCOC(=O)c1c(CSC(=N)N)n(c2c1cc(OC(=O)C)c(c2)Br)CBr
InChI=1SC22H30BrN3O4Sc1456789102921(28)20151119(3014(2)27)16(23)1217(15)26(3)18(20)133122(24)25h1112H41013H213H3(H32425)
MFCD01855071
octyl5(acetyloxy)6bromo2((carbamimidoylsulfanyl)methyl)1methyl1Hindole3carboxylate
octyl5acetoxy6bromo2((carbamimidoylthio)methyl)1methyl1Hindole3carboxylatehydrobromide
OCTYL5ACETYLOXY6BROMANYL2(CARBAMIMIDOYLSULFANYLMETHYL)1METHYLINDOLE3CARBOXYLATEHYDROBROMIDE
OCTYL5ACETYLOXY6BROMO2(CARBAMIMIDOYLSULFANYLMETHYL)1METHYLINDOLE3CARBOXYLATE
OCTYL5ACETYLOXY6BROMO2(CARBAMIMIDOYLSULFANYLMETHYL)1METHYLINDOLE3CARBOXYLATEHYDROBROMIDE
ZINC000017595959
ZINC17595959
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