Vitas-M small molecule compound
3-{[(2E)-2-cyano-3-(3-ethoxy-5-iodo-4-methoxyphenyl)prop-2-enoyl]amino}benzoic acid
Catalog ID
STK522701
SMILES CCOc1cc(/C=C(/C(=O)Nc2cccc(c2)C(=O)O)\C#N)cc(c1OC)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 C20H17IN2O5 MW 492.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17IN2O5/c1-3-28-17-9-12(8-16(21)18(17)27-2)7-14(11-22)19(24)23-15-6-4-5-13(10-15)20(25)26/h4-10H,3H2,1-2H3,(H,23,24)(H,25,26)/b14-7+InChIKey
UTOOIWLQRVPENM-VGOFMYFVSA-NSynonyms
3(((2E)2cyano3(3ethoxy5iodo4methoxyphenyl)prop2enoyl)amino)benzoicacid
3(((E)2CYANO3(3ETHOXY5IODO4METHOXYPHENYL)PROP2ENOYL)AMINO)BENZOICACID
CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)I)OC
CCOc1cc(C=C(C(=O)Nc2cccc(c2)C(=O)O)C#N)cc(c1OC)I
InChI=1SC20H17IN2O5c132817912(816(21)18(17)272)714(1122)19(24)231564513(1015)20(25)26h410H3H212H3(H2324)(H2526)b147+
MFCD03158066
ZINC000001438763
ZINC1438763
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