Vitas-M small molecule compound
6-tert-butyl-2-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK243929
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)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 C27H37N3O5S2 MW 547.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37N3O5S2/c1-7-33-18-12-15(13-19(34-8-2)22(18)35-9-3)24(32)29-26(36)30-25-21(23(28)31)17-11-10-16(27(4,5)6)14-20(17)37-25/h12-13,16H,7-11,14H2,1-6H3,(H2,28,31)(H2,29,30,32,36)InChIKey
SLQGGFJSEDNYNP-UHFFFAOYSA-NSynonyms
6tertbutyl2((((345triethoxyphenyl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxamide
6tertbutyl2((345triethoxybenzoyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxamide
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N
InChI=1SC27H37N3O5S2c1733181215(1319(3482)22(18)3593)24(32)2926(36)302521(23(28)31)17111016(27(45)6)1420(17)3725h121316H71114H216H3(H22831)(H229303236)
MFCD03906713
ZINC000100358970
ZINC000100358975
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