Vitas-M small molecule compound

ethyl (5Z)-5-[5-bromo-2-(prop-2-yn-1-yloxy)benzylidene]-2-{[(2-chlorophenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STL416072
SMILES CCOC(=O)C1=C(S/C(=C\c2cc(Br)ccc2OCC#C)/C1=O)NC(=O)c1ccccc1Cl

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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 C24H17BrClNO5S MW 546.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17BrClNO5S/c1-3-11-32-18-10-9-15(25)12-14(18)13-19-21(28)20(24(30)31-4-2)23(33-19)27-22(29)16-7-5-6-8-17(16)26/h1,5-10,12-13H,4,11H2,2H3,(H,27,29)/b19-13-
InChIKey
XVRGAZJRNDYKBS-UYRXBGFRSA-N
Synonyms

CCOC(=O)C1=C(SC(=CC2=C(C=CC(=C2)Br)OCC#C)C1=O)NC(=O)C3=CC=CC=C3Cl
CCOC(=O)C1=C(SC(=Cc2cc(Br)ccc2OCC#C)C1=O)NC(=O)c1ccccc1Cl
ETHYL(5Z)5((5BROMO2PROP2YNOXYPHENYL)METHYLIDENE)2((2CHLOROBENZOYL)AMINO)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(5bromo2(prop2yn1yloxy)benzylidene)2(((2chlorophenyl)carbonyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL5(5BROMO2(2PROPYNYLOXY)BENZYLIDENE)2((2CHLOROBENZOYL)AMINO)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC24H17BrClNO5Sc1311321810915(25)1214(18)131921(28)20(24(30)3142)23(3319)2722(29)16756817(16)26h15101213H411H22H3(H2729)b1913
MFCD03783975
ZINC000008396226
ZINC08396226
ZINC8396226

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Available files

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