Vitas-M small molecule compound
ethyl 2-({[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL174697
SMILES CCOC(=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 C30H31N3O3S2 MW 545.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O3S2/c1-4-36-29(35)26-22-12-8-9-13-25(22)38-28(26)32-30(37)31-27(34)21-14-15-24-23(16-21)18(2)19(3)33(24)17-20-10-6-5-7-11-20/h5-7,10-11,14-16H,4,8-9,12-13,17H2,1-3H3,(H2,31,32,34,37)InChIKey
QFYYPINNRKFQHZ-UHFFFAOYSA-NSynonyms
445025-37-6445025376
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC4=C(C=C3)N(C(=C4C)C)CC5=CC=CC=C5
ethyl2((((1benzyl23dimethyl1Hindol5yl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((1benzyl23dimethylindole5carbonyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC30H31N3O3S2c143629(35)262212891325(22)3828(26)3230(37)3127(34)2114152423(1621)18(2)19(3)33(24)1720106571120h5710111416H489121317H213H3(H231323437)
MFCD02604620
ZINC000002726811
ZINC02726811
ZINC2726811
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