Vitas-M small molecule compound
ethyl (5Z)-5-(3-bromobenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK005697
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cccc(c2)Br)/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 C20H16BrNO3S MW 430.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrNO3S/c1-2-25-20(24)17-18(23)16(12-13-7-6-8-14(21)11-13)26-19(17)22-15-9-4-3-5-10-15/h3-12,22H,2H2,1H3/b16-12-InChIKey
RASCPPNCGIWRAA-VBKFSLOCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc(c2)Br)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=CC=C2)Br)C1=O)NC3=CC=CC=C3
ETHYL(5Z)2ANILINO5((3BROMOPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(3BROMOBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC20H16BrNO3Sc122520(24)1718(23)16(121376814(21)1113)2619(17)221594351015h31222H2H21H3b1612
MFCD02212693
STK005697
ZINC000008916701
ZINC08916701
ZINC8916701
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