Vitas-M small molecule compound
2-{(1Z)-2-cyano-3-[(4-iodophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl 4-nitrobenzenesulfonate
Catalog ID
STK379141
SMILES N#C/C(=C/c1ccccc1OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])/C(=O)Nc1ccc(cc1)I
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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 C22H14IN3O6S MW 575.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14IN3O6S/c23-17-5-7-18(8-6-17)25-22(27)16(14-24)13-15-3-1-2-4-21(15)32-33(30,31)20-11-9-19(10-12-20)26(28)29/h1-13H,(H,25,27)/b16-13-InChIKey
CQPLCEGRUOHPNQ-SSZFMOIBSA-NSynonyms
(2((Z)2cyano3(4iodoanilino)3oxoprop1enyl)phenyl)4nitrobenzenesulfonate
2((1Z)2CYANO2(N(4IODOPHENYL)CARBAMOYL)VINYL)PHENYL4NITROBENZENESULFONATE
2((1Z)2cyano3((4iodophenyl)amino)3oxoprop1en1yl)phenyl4nitrobenzenesulfonate
C1=CC=C(C(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)I)OS(=O)(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC22H14IN3O6Sc23175718(8617)2522(27)16(1424)1315312421(15)3233(3031)2011919(101220)26(28)29h113H(H2527)b1613
MFCD01874717
N#CC(=Cc1ccccc1OS(=O)(=O)c1ccc(cc1)(N+)(=O)(O))C(=O)Nc1ccc(cc1)I
ZINC000059222095
ZINC59222095
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