Vitas-M small molecule compound
methyl 2-({[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL174696
SMILES COC(=O)c1c(NC(=S)NC(=O)c2ccc3c(c2)c(C)c(n3Cc2ccccc2)C)sc2c1CCCC2
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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 C29H29N3O3S2 MW 531.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O3S2/c1-17-18(2)32(16-19-9-5-4-6-10-19)23-14-13-20(15-22(17)23)26(33)30-29(36)31-27-25(28(34)35-3)21-11-7-8-12-24(21)37-27/h4-6,9-10,13-15H,7-8,11-12,16H2,1-3H3,(H2,30,31,33,36)InChIKey
RUDRFWWEHNBVEK-UHFFFAOYSA-NSynonyms
438613-89-9438613899
CC1=C(N(C2=C1C=C(C=C2)C(=O)NC(=S)NC3=C(C4=C(S3)CCCC4)C(=O)OC)CC5=CC=CC=C5)C
InChI=1SC29H29N3O3S2c11718(2)32(161995461019)23141320(1522(17)23)26(33)3029(36)312725(28(34)353)2111781224(21)3727h469101315H78111216H213H3(H230313336)
methyl2((((1benzyl23dimethyl1Hindol5yl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((1benzyl23dimethylindole5carbonyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD02605116
ZINC000002801904
ZINC02801904
ZINC2801904
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