Vitas-M small molecule compound
ethyl 2-({[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STL174289
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccc3c(c2)c(C)c(n3Cc2ccccc2)C)sc2c1CCCCC2
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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/c1-4-37-30(36)27-23-13-9-6-10-14-26(23)39-29(27)33-31(38)32-28(35)22-15-16-25-24(17-22)19(2)20(3)34(25)18-21-11-7-5-8-12-21/h5,7-8,11-12,15-17H,4,6,9-10,13-14,18H2,1-3H3,(H2,32,33,35,38)InChIKey
UBBCMQJEAISXIJ-UHFFFAOYSA-NSynonyms
445237-20-7445237207
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C3=CC4=C(C=C3)N(C(=C4C)C)CC5=CC=CC=C5
ethyl2((((1benzyl23dimethyl1Hindol5yl)carbonyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((1benzyl23dimethylindole5carbonyl)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC31H33N3O3S2c143730(36)27231396101426(23)3929(27)3331(38)3228(35)2215162524(1722)19(2)20(3)34(25)1821117581221h57811121517H46910131418H213H3(H232333538)
MFCD02608542
ZINC000002108553
ZINC02108553
ZINC2108553
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