Vitas-M small molecule compound
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK906846
SMILES COc1ccc(cc1)/C=C/C(=O)Nc1sc2c(c1C(=O)NC1CCS(=O)(=O)C1)CCC(C2)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 C24H28N2O5S2 MW 488.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O5S2/c1-15-3-9-19-20(13-15)32-24(22(19)23(28)25-17-11-12-33(29,30)14-17)26-21(27)10-6-16-4-7-18(31-2)8-5-16/h4-8,10,15,17H,3,9,11-14H2,1-2H3,(H,25,28)(H,26,27)/b10-6+InChIKey
VARCXTUXNZQUNA-UXBLZVDNSA-NSynonyms
848870-39-3(E)N(11dioxidotetrahydrothiophen3yl)2(3(4methoxyphenyl)acrylamido)6methyl4567tetrahydrobenzo(b)thiophene3carboxamide
848870393
CC1CCC2=C(C1)SC(=C2C(=O)NC3CCS(=O)(=O)C3)NC(=O)C=CC4=CC=C(C=C4)OC
COc1ccc(cc1)C=CC(=O)Nc1sc2c(c1C(=O)NC1CCS(=O)(=O)C1)CCC(C2)C
InChI=1SC24H28N2O5S2c115391920(1315)3224(22(19)23(28)2517111233(2930)1417)2621(27)106164718(312)8516h48101517H391114H212H3(H2528)(H2627)b106+
MFCD04197640
N(11dioxidotetrahydrothiophen3yl)2(((2E)3(4methoxyphenyl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxamide
N(11dioxothiolan3yl)2(((E)3(4methoxyphenyl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxamide
ZINC000009210507
ZINC000013787203
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