Vitas-M small molecule compound
ethyl (5Z)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK079667
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(OC)c(c(c2)OC)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 C22H21NO6S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO6S/c1-4-29-22(26)18-20(25)17(30-21(18)23-14-8-6-5-7-9-14)12-13-10-15(27-2)19(24)16(11-13)28-3/h5-12,23-24H,4H2,1-3H3/b17-12-InChIKey
DMLWSTWMFPVYSI-ATVHPVEESA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(OC)c(c(c2)OC)O)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=C(C(=C2)OC)O)OC)C1=O)NC3=CC=CC=C3
ETHYL(5Z)2ANILINO5((4HYDROXY35DIMETHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(4HYDROXY35DIMETHOXYBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC22H21NO6Sc142922(26)1820(25)17(3021(18)23148657914)12131015(272)19(24)16(1113)283h5122324H4H213H3b1712
MFCD02921647
STK079667
ZINC000009635952
ZINC09635952
ZINC9635952
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