Vitas-M small molecule compound

ethyl (5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK158367
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(c(c2)OCC)O)/C1=O

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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 C22H21NO5S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5S/c1-3-27-17-12-14(10-11-16(17)24)13-18-20(25)19(22(26)28-4-2)21(29-18)23-15-8-6-5-7-9-15/h5-13,23-24H,3-4H2,1-2H3/b18-13-
InChIKey
RGZGTPIFERAKLK-AQTBWJFISA-N
Synonyms

CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(c(c2)OCC)O)C1=O
CCOC1=C(C=CC(=C1)C=C2C(=O)C(=C(S2)NC3=CC=CC=C3)C(=O)OCC)O
ETHYL(5Z)2ANILINO5((3ETHOXY4HYDROXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5((3ETHOXY4HYDROXYPHENYL)METHYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(3ETHOXY4HYDROXYBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC22H21NO5Sc1327171214(101116(17)24)131820(25)19(22(26)2842)21(2918)23158657915h5132324H34H212H3b1813
MFCD02222252
ZINC000001168357
ZINC01168357
ZINC1168357

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Available files

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