Vitas-M small molecule compound
ethyl (5Z)-5-(2-bromo-4-hydroxy-5-methoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL378680
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(OC)c(cc2Br)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 C21H18BrNO5S MW 476.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrNO5S/c1-3-28-21(26)18-19(25)17(29-20(18)23-13-7-5-4-6-8-13)10-12-9-16(27-2)15(24)11-14(12)22/h4-11,23-24H,3H2,1-2H3/b17-10-InChIKey
IISRKZGQCNSVCP-YVLHZVERSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(OC)c(cc2Br)O)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2Br)O)OC)C1=O)NC3=CC=CC=C3
ETHYL(5Z)2ANILINO5((2BROMO4HYDROXY5METHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(2bromo4hydroxy5methoxybenzylidene)4oxo2(phenylamino)45dihydrothiophene3carboxylate
InChI=1SC21H18BrNO5Sc132821(26)1819(25)17(2920(18)23137546813)1012916(272)15(24)1114(12)22h4112324H3H212H3b1710
MFCD03710971
ZINC000009295954
ZINC09295954
ZINC9295954
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