Vitas-M small molecule compound
6-tert-butyl-2-({[(4-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK243497
SMILES S=C(NC(=O)c1ccc(cc1)C)Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)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 C22H27N3O2S2 MW 429.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O2S2/c1-12-5-7-13(8-6-12)19(27)24-21(28)25-20-17(18(23)26)15-10-9-14(22(2,3)4)11-16(15)29-20/h5-8,14H,9-11H2,1-4H3,(H2,23,26)(H2,24,25,27,28)InChIKey
QKZOAPSBXCRESO-UHFFFAOYSA-NSynonyms
6tertbutyl2((((4methylphenyl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxamide
6tertbutyl2((4methylbenzoyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxamide
CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N
InChI=1SC22H27N3O2S2c1125713(8612)19(27)2421(28)252017(18(23)26)1510914(22(23)4)1116(15)2920h5814H911H214H3(H22326)(H224252728)
MFCD05849817
ZINC000009252368
ZINC000013843147
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