Vitas-M small molecule compound
methyl 2-({(2E)-2-cyano-3-[4-(pentyloxy)phenyl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK739757
SMILES CCCCCOc1ccc(cc1)/C=C(/C(=O)Nc1sc2c(c1C(=O)OC)CCCC2)\C#N
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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 C25H28N2O4S MW 452.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O4S/c1-3-4-7-14-31-19-12-10-17(11-13-19)15-18(16-26)23(28)27-24-22(25(29)30-2)20-8-5-6-9-21(20)32-24/h10-13,15H,3-9,14H2,1-2H3,(H,27,28)/b18-15+InChIKey
JOHLWDGMDFVJHJ-OBGWFSINSA-NSynonyms
315241-51-1(E)methyl2(2cyano3(4(pentyloxy)phenyl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
315241511
CCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC
CCCCCOc1ccc(cc1)C=C(C(=O)Nc1sc2c(c1C(=O)OC)CCCC2)C#N
InChI=1SC25H28N2O4Sc1347143119121017(111319)1518(1626)23(28)272422(25(29)302)20856921(20)3224h101315H3914H212H3(H2728)b1815+
methyl2(((2E)2cyano3(4(pentyloxy)phenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)2cyano3(4pentoxyphenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02328488
ZINC000002321955
ZINC02321955
ZINC2321955
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