Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(3-iodophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl naphthalene-2-sulfonate
Catalog ID
STK379331
SMILES N#C/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc2c(c1)cccc2)/C(=O)Nc1cccc(c1)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 C26H17IN2O4S MW 580.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17IN2O4S/c27-22-6-3-7-23(16-22)29-26(30)21(17-28)14-18-8-11-24(12-9-18)33-34(31,32)25-13-10-19-4-1-2-5-20(19)15-25/h1-16H,(H,29,30)/b21-14+InChIKey
TZSWNAUJYJWLAK-KGENOOAVSA-NSynonyms
(4((E)2CYANO3(3IODOANILINO)3OXOPROP1ENYL)PHENYL)NAPHTHALENE2SULFONATE
4((1E)2CYANO2(N(3IODOPHENYL)CARBAMOYL)VINYL)PHENYLNAPHTHALENE2SULFONATE
4((1E)2cyano3((3iodophenyl)amino)3oxoprop1en1yl)phenylnaphthalene2sulfonate
C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)OC3=CC=C(C=C3)C=C(C#N)C(=O)NC4=CC(=CC=C4)I
InChI=1SC26H17IN2O4Sc272263723(1622)2926(30)21(1728)141881124(12918)3334(3132)25131019412520(19)1525h116H(H2930)b2114+
MFCD02104120
N#CC(=Cc1ccc(cc1)OS(=O)(=O)c1ccc2c(c1)cccc2)C(=O)Nc1cccc(c1)I
ZINC000097962935
ZINC97962935
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