Vitas-M small molecule compound
2-({[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK540160
SMILES COc1cc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC(C3)C)ccc1OC
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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 C22H25N3O4S2 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O4S2/c1-12-4-7-14-17(10-12)31-21(19(14)20(23)27)25-22(30)24-18(26)9-6-13-5-8-15(28-2)16(11-13)29-3/h5-6,8-9,11-12H,4,7,10H2,1-3H3,(H2,23,27)(H2,24,25,26,30)/b9-6+InChIKey
CNXULIRJSCTYIM-RMKNXTFCSA-NSynonyms
370574-22-4(E)2(3(3(34dimethoxyphenyl)acryloyl)thioureido)6methyl4567tetrahydrobenzo(b)thiophene3carboxamide
2((((2E)3(34dimethoxyphenyl)prop2enoyl)carbamothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxamide
2(((E)3(34dimethoxyphenyl)prop2enoyl)carbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxamide
370574224
CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C=CC3=CC(=C(C=C3)OC)OC
COc1cc(C=CC(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC(C3)C)ccc1OC
InChI=1SC22H25N3O4S2c112471417(1012)3121(19(14)20(23)27)2522(30)2418(26)96135815(282)16(1113)293h56891112H4710H213H3(H22327)(H224252630)b96+
MFCD01994051
ZINC000002316484
ZINC000002316486
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