Vitas-M small molecule compound
3-{[(2E)-2-cyano-3-{3-ethoxy-4-[(naphthalen-1-ylcarbonyl)oxy]phenyl}prop-2-enoyl]amino}benzoic acid
Catalog ID
STL383465
SMILES CCOc1cc(ccc1OC(=O)c1cccc2c1cccc2)/C=C(/C(=O)Nc1cccc(c1)C(=O)O)\C#N
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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 C30H22N2O6 MW 506.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22N2O6/c1-2-37-27-16-19(15-22(18-31)28(33)32-23-10-5-9-21(17-23)29(34)35)13-14-26(27)38-30(36)25-12-6-8-20-7-3-4-11-24(20)25/h3-17H,2H2,1H3,(H,32,33)(H,34,35)/b22-15+InChIKey
ZLHMEBGNNUPUHH-PXLXIMEGSA-NSynonyms
3(((2E)2cyano3(3ethoxy4((naphthalen1ylcarbonyl)oxy)phenyl)prop2enoyl)amino)benzoicacid
3(((E)2CYANO3(3ETHOXY4(NAPHTHALENE1CARBONYLOXY)PHENYL)PROP2ENOYL)AMINO)BENZOICACID
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OC(=O)C3=CC=CC4=CC=CC=C43
CCOc1cc(ccc1OC(=O)c1cccc2c1cccc2)C=C(C(=O)Nc1cccc(c1)C(=O)O)C#N
InChI=1SC30H22N2O6c1237271619(1522(1831)28(33)3223105921(1723)29(34)35)131426(27)3830(36)251268207341124(20)25h317H2H21H3(H3233)(H3435)b2215+
MFCD03154945
ZINC000003231311
ZINC3231311
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