Vitas-M small molecule compound
ethyl 2-({(2E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl}amino)-4-(4-methylphenyl)thiophene-3-carboxylate
Catalog ID
STK949800
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)/C(=C/c1ccc(cc1)N(CC)CC)/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 C28H29N3O3S MW 487.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S/c1-5-31(6-2)23-14-10-20(11-15-23)16-22(17-29)26(32)30-27-25(28(33)34-7-3)24(18-35-27)21-12-8-19(4)9-13-21/h8-16,18H,5-7H2,1-4H3,(H,30,32)/b22-16+InChIKey
ZLNFTXFFJHCBHH-CJLVFECKSA-NSynonyms
CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)OCC
CCOC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)C(=Cc1ccc(cc1)N(CC)CC)C#N
ethyl2(((2E)2cyano3(4(diethylamino)phenyl)prop2enoyl)amino)4(4methylphenyl)thiophene3carboxylate
ETHYL2(((E)2CYANO3(4(DIETHYLAMINO)PHENYL)PROP2ENOYL)AMINO)4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
ETHYL2((2E)3(4(DIETHYLAMINO)PHENYL)2CYANOPROP2ENOYLAMINO)4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
InChI=1SC28H29N3O3Sc1531(62)23141020(111523)1622(1729)26(32)302725(28(33)3473)24(183527)2112819(4)91321h81618H57H214H3(H3032)b2216+
MFCD02957259
ZINC000002670140
ZINC02670140
ZINC2670140
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