Vitas-M small molecule compound

4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl 4-nitrobenzenesulfonate

Catalog ID
STK379133
SMILES N#C/C(=C/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])/C(=O)Nc1ccc(cc1)Cl

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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 C22H14ClN3O6S MW 483.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14ClN3O6S/c23-17-3-5-18(6-4-17)25-22(27)16(14-24)13-15-1-9-20(10-2-15)32-33(30,31)21-11-7-19(8-12-21)26(28)29/h1-13H,(H,25,27)/b16-13-
InChIKey
AKYFMJNEGACIPV-SSZFMOIBSA-N
Synonyms

(4((Z)3(4chloroanilino)2cyano3oxoprop1enyl)phenyl)4nitrobenzenesulfonate
4((1Z)2(N(4CHLOROPHENYL)CARBAMOYL)2CYANOVINYL)PHENYL4NITROBENZENESULFONATE
4((1Z)3((4chlorophenyl)amino)2cyano3oxoprop1en1yl)phenyl4nitrobenzenesulfonate
C1=CC(=CC=C1C=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC22H14ClN3O6Sc23173518(6417)2522(27)16(1424)13151920(10215)3233(3031)2111719(81221)26(28)29h113H(H2527)b1613
MFCD02067524
N#CC(=Cc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)(N+)(=O)(O))C(=O)Nc1ccc(cc1)Cl
ZINC000016157689
ZINC16157689

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Available files

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