Vitas-M small molecule compound
methyl 2-({[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK681835
SMILES COC(=O)c1c(NC(=S)NC(=O)c2ccc3c(c2)c(C)c(n3Cc2ccccc2)C)sc2c1CCCCCC2
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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 C31H33N3O3S2 MW 559.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N3O3S2/c1-19-20(2)34(18-21-11-7-6-8-12-21)25-16-15-22(17-24(19)25)28(35)32-31(38)33-29-27(30(36)37-3)23-13-9-4-5-10-14-26(23)39-29/h6-8,11-12,15-17H,4-5,9-10,13-14,18H2,1-3H3,(H2,32,33,35,38)InChIKey
VNHLCLVZVLAVFZ-UHFFFAOYSA-NSynonyms
CC1=C(N(C2=C1C=C(C=C2)C(=O)NC(=S)NC3=C(C4=C(S3)CCCCCC4)C(=O)OC)CC5=CC=CC=C5)C
InChI=1SC31H33N3O3S2c11920(2)34(1821117681221)25161522(1724(19)25)28(35)3231(38)332927(30(36)373)2313945101426(23)3929h6811121517H45910131418H213H3(H232333538)
methyl2((((1benzyl23dimethyl1Hindol5yl)carbonyl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((1benzyl23dimethylindole5carbonyl)carbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2(3(1benzyl23dimethyl1Hindole5carbonyl)thioureido)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD03820279
ZINC000001901003
ZINC01901003
ZINC1901003
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