Vitas-M small molecule compound
3-{(1E)-2-cyano-3-[(4-iodophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl naphthalene-2-sulfonate
Catalog ID
STK379321
SMILES N#C/C(=C\c1cccc(c1)OS(=O)(=O)c1ccc2c(c1)cccc2)/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 C26H17IN2O4S MW 580.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17IN2O4S/c27-22-9-11-23(12-10-22)29-26(30)21(17-28)14-18-4-3-7-24(15-18)33-34(31,32)25-13-8-19-5-1-2-6-20(19)16-25/h1-16H,(H,29,30)/b21-14+InChIKey
WLQSWTAEMCHRRS-KGENOOAVSA-NSynonyms
(3((E)2CYANO3(4IODOANILINO)3OXOPROP1ENYL)PHENYL)NAPHTHALENE2SULFONATE
3((1E)2CYANO2(N(4IODOPHENYL)CARBAMOYL)VINYL)PHENYLNAPHTHALENE2SULFONATE
3((1E)2cyano3((4iodophenyl)amino)3oxoprop1en1yl)phenylnaphthalene2sulfonate
C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)OC3=CC=CC(=C3)C=C(C#N)C(=O)NC4=CC=C(C=C4)I
InChI=1SC26H17IN2O4Sc272291123(121022)2926(30)21(1728)141843724(1518)3334(3132)2513819512620(19)1625h116H(H2930)b2114+
MFCD02602733
N#CC(=Cc1cccc(c1)OS(=O)(=O)c1ccc2c(c1)cccc2)C(=O)Nc1ccc(cc1)I
ZINC000097962931
ZINC97962931
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