Vitas-M small molecule compound
2-chloro-5-(5-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}furan-2-yl)benzoic acid
Catalog ID
STK280971
SMILES O=C1N(/N=C/c2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)C(=O)C2C1C1CCC2C=C1
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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 C22H17ClN2O5 MW 424.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O5/c23-16-7-5-13(9-15(16)22(28)29)17-8-6-14(30-17)10-24-25-20(26)18-11-1-2-12(4-3-11)19(18)21(25)27/h1-2,5-12,18-19H,3-4H2,(H,28,29)/b24-10+InChIKey
DQVLZPDJSKGTCB-YSURURNPSA-NSynonyms
2chloro5(5((E)((13dioxo133a477ahexahydro2H47ethanoisoindol2yl)imino)methyl)furan2yl)benzoicacid
C1CC2C=CC1C3C2C(=O)N(C3=O)N=CC4=CC=C(O4)C5=CC(=C(C=C5)Cl)C(=O)O
InChI=1SC22H17ClN2O5c23167513(915(16)22(28)29)178614(3017)10242520(26)18111212(4311)19(18)21(25)27h125121819H34H2(H2829)b2410+
MFCD01173635
O=C1N(N=Cc2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)C(=O)C2C1C1CCC2C=C1
ZINC000100182679
ZINC000104277433
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