Vitas-M small molecule compound
ethyl 2-({(2E)-2-cyano-3-[4-(pentyloxy)phenyl]prop-2-enoyl}amino)-4-(4-methoxyphenyl)thiophene-3-carboxylate
Catalog ID
STK739781
SMILES CCCCCOc1ccc(cc1)/C=C(/C(=O)Nc1scc(c1C(=O)OCC)c1ccc(cc1)OC)\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 C29H30N2O5S MW 518.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O5S/c1-4-6-7-16-36-24-12-8-20(9-13-24)17-22(18-30)27(32)31-28-26(29(33)35-5-2)25(19-37-28)21-10-14-23(34-3)15-11-21/h8-15,17,19H,4-7,16H2,1-3H3,(H,31,32)/b22-17+InChIKey
HDGJPLJAYZGFHQ-OQKWZONESA-NSynonyms
327075-78-5(E)ethyl2(2cyano3(4(pentyloxy)phenyl)acrylamido)4(4methoxyphenyl)thiophene3carboxylate
327075785
CCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C(=O)OCC
CCCCCOc1ccc(cc1)C=C(C(=O)Nc1scc(c1C(=O)OCC)c1ccc(cc1)OC)C#N
ethyl2(((2E)2cyano3(4(pentyloxy)phenyl)prop2enoyl)amino)4(4methoxyphenyl)thiophene3carboxylate
ETHYL2(((E)2CYANO3(4PENTOXYPHENYL)PROP2ENOYL)AMINO)4(4METHOXYPHENYL)THIOPHENE3CARBOXYLATE
ETHYL2((2E)2CYANO3(4PENTYLOXYPHENYL)PROP2ENOYLAMINO)4(4METHOXYPHENYL)THIOPHENE3CARBOXYLATE
InChI=1SC29H30N2O5Sc146716362412820(91324)1722(1830)27(32)312826(29(33)3552)25(193728)21101423(343)151121h8151719H4716H213H3(H3132)b2217+
MFCD01955653
ZINC000009335082
ZINC09335082
ZINC9335082
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.