Vitas-M small molecule compound
ethyl (5Z)-5-{4-[(4-chlorobenzyl)oxy]-3-ethoxy-5-(prop-2-en-1-yl)benzylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL378287
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(OCC)c(c(c2)CC=C)OCc2ccc(cc2)Cl)/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 C32H30ClNO5S MW 576.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30ClNO5S/c1-4-10-23-17-22(18-26(37-5-2)30(23)39-20-21-13-15-24(33)16-14-21)19-27-29(35)28(32(36)38-6-3)31(40-27)34-25-11-8-7-9-12-25/h4,7-9,11-19,34H,1,5-6,10,20H2,2-3H3/b27-19-InChIKey
OVEFQIISRLKBSC-DIBXZPPDSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(OCC)c(c(c2)CC=C)OCc2ccc(cc2)Cl)C1=O
CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)Cl)CC=C)C=C3C(=O)C(=C(S3)NC4=CC=CC=C4)C(=O)OCC
ETHYL(5Z)2ANILINO5((4((4CHLOROPHENYL)METHOXY)3ETHOXY5PROP2ENYLPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(4((4chlorobenzyl)oxy)3ethoxy5(prop2en1yl)benzylidene)4oxo2(phenylamino)45dihydrothiophene3carboxylate
InChI=1SC32H30ClNO5Sc1410231722(1826(3752)30(23)392021131524(33)161421)192729(35)28(32(36)3863)31(4027)3425118791225h479111934H1561020H223H3b2719
MFCD05039734
ZINC000100377808
ZINC100377808
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