Vitas-M small molecule compound
(1Z)-3-methoxy-1-{[(4-nitrophenyl)carbonyl]amino}-3-oxo-2-(triphenylphosphonio)prop-1-ene-1-thiolate
Catalog ID
STK369204
SMILES COC(=O)/C(=C(\NC(=O)c1ccc(cc1)[N+](=O)[O-])/[S-])/[P+](c1ccccc1)(c1ccccc1)c1ccccc1
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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 C29H23N2O5PS MW 542.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N2O5PS/c1-36-29(33)26(28(38)30-27(32)21-17-19-22(20-18-21)31(34)35)37(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3,(H-,30,32,33,38)InChIKey
PYNNSCIHCSDGLZ-UHFFFAOYSA-NSynonyms
(1Z)3methoxy1(((4nitrophenyl)carbonyl)amino)3oxo2(triphenylphosphonio)prop1ene1thiolate
(E)1METHOXY3((4NITROBENZOYL)AMINO)3SULFANYLIDENE2TRIPHENYLPHOSPHANIUMYLPROP1EN1OLATE
(Z)1methoxy3((4nitrobenzoyl)amino)3sulfanylidene2triphenylphosphaniumylprop1en1olate
COC(=C(C(=S)NC(=O)C1=CC=C(C=C1)(N+)(=O)(O))(P+)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(O)
COC(=O)C(=C(NC(=O)c1ccc(cc1)(N+)(=O)(O))(S))(P+)(c1ccccc1)(c1ccccc1)c1ccccc1
InChI=1SC29H23N2O5PSc13629(33)26(28(38)3027(32)21171922(201821)31(34)35)37(2311526122324137381424)251594101625h220H1H3(H30323338)
METHYL(2Z)3((4NITROPHENYL)CARBONYLAMINO)3SULFANYL2(TRIPHENYLPHOSPHINO)PROP2ENOATE
MFCD00268540
ZINC000059211945
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