Vitas-M small molecule compound
3-[(1E)-2-cyano-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-1-yl]phenyl 4-methylbenzenesulfonate
Catalog ID
STK379338
SMILES N#C/C(=C\c1cccc(c1)OS(=O)(=O)c1ccc(cc1)C)/C(=O)Nc1cccc2c1cccc2
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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 C27H20N2O4S MW 468.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O4S/c1-19-12-14-24(15-13-19)34(31,32)33-23-9-4-6-20(17-23)16-22(18-28)27(30)29-26-11-5-8-21-7-2-3-10-25(21)26/h2-17H,1H3,(H,29,30)/b22-16+InChIKey
OICWZBRNDCAOAM-CJLVFECKSA-NSynonyms
(3((E)2CYANO3(NAPHTHALEN1YLAMINO)3OXOPROP1ENYL)PHENYL)4METHYLBENZENESULFONATE
3((1E)2CYANO2(NNAPHTHYLCARBAMOYL)VINYL)PHENYL4METHYLBENZENESULFONATE
3((1E)2cyano3(naphthalen1ylamino)3oxoprop1en1yl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)NC3=CC=CC4=CC=CC=C43
InChI=1SC27H20N2O4Sc119121424(151319)34(3132)332394620(1723)1622(1828)27(30)29261158217231025(21)26h217H1H3(H2930)b2216+
MFCD02104610
N#CC(=Cc1cccc(c1)OS(=O)(=O)c1ccc(cc1)C)C(=O)Nc1cccc2c1cccc2
ZINC000008860886
ZINC08860886
ZINC8860886
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