Vitas-M small molecule compound
ethyl (5Z)-5-[3-chloro-4-(cyanomethoxy)benzylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL370157
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(c(c2)Cl)OCC#N)/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 C22H17ClN2O4S MW 440.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O4S/c1-2-28-22(27)19-20(26)18(30-21(19)25-15-6-4-3-5-7-15)13-14-8-9-17(16(23)12-14)29-11-10-24/h3-9,12-13,25H,2,11H2,1H3/b18-13-InChIKey
MVCBPNDEONKGIB-AQTBWJFISA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(c(c2)Cl)OCC#N)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)OCC#N)Cl)C1=O)NC3=CC=CC=C3
ETHYL(5Z)2ANILINO5((3CHLORO4(CYANOMETHOXY)PHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(3chloro4(cyanomethoxy)benzylidene)4oxo2(phenylamino)45dihydrothiophene3carboxylate
InChI=1SC22H17ClN2O4Sc122822(27)1920(26)18(3021(19)25156435715)13148917(16(23)1214)29111024h39121325H211H21H3b1813
MFCD05150044
ZINC000009296203
ZINC09296203
ZINC9296203
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