Vitas-M small molecule compound

ethyl 2-({(2E)-2-cyano-3-[2-(propan-2-yloxy)phenyl]prop-2-enoyl}amino)-4-(4-methoxyphenyl)thiophene-3-carboxylate

Catalog ID
STK949802
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)OC)NC(=O)/C(=C/c1ccccc1OC(C)C)/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 C27H26N2O5S MW 490.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5S/c1-5-33-27(31)24-22(18-10-12-21(32-4)13-11-18)16-35-26(24)29-25(30)20(15-28)14-19-8-6-7-9-23(19)34-17(2)3/h6-14,16-17H,5H2,1-4H3,(H,29,30)/b20-14+
InChIKey
FWTPQQDEUAQERC-XSFVSMFZSA-N
Synonyms

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C(=CC3=CC=CC=C3OC(C)C)C#N
CCOC(=O)c1c(scc1c1ccc(cc1)OC)NC(=O)C(=Cc1ccccc1OC(C)C)C#N
ethyl2(((2E)2cyano3(2(propan2yloxy)phenyl)prop2enoyl)amino)4(4methoxyphenyl)thiophene3carboxylate
ETHYL2(((E)2CYANO3(2PROPAN2YLOXYPHENYL)PROP2ENOYL)AMINO)4(4METHOXYPHENYL)THIOPHENE3CARBOXYLATE
ETHYL2((2E)2CYANO3(2(METHYLETHOXY)PHENYL)PROP2ENOYLAMINO)4(4METHOXYPHENYL)THIOPHENE3CARBOXYLATE
InChI=1SC27H26N2O5Sc153327(31)2422(18101221(324)131118)163526(24)2925(30)20(1528)1419867923(19)3417(2)3h6141617H5H214H3(H2930)b2014+
MFCD02957115
ZINC000002670148
ZINC02670148
ZINC2670148

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.