Vitas-M small molecule compound
2-chloro-5-(5-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropan]-2-yl)imino]methyl}furan-2-yl)benzoic acid
Catalog ID
STL387731
SMILES O=C1N(/N=C/c2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)C(=O)C2C1C1C=CC2C21CC2
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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 C23H17ClN2O5 MW 436.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN2O5/c24-16-5-1-11(9-13(16)22(29)30)17-6-2-12(31-17)10-25-26-20(27)18-14-3-4-15(19(18)21(26)28)23(14)7-8-23/h1-6,9-10,14-15,18-19H,7-8H2,(H,29,30)/b25-10+InChIKey
GVNHGGOBTZGUGO-KIBLKLHPSA-NSynonyms
2chloro5(5((E)((13dioxo133a477ahexahydro2Hspiro(2aza47methanoisoindole81cyclopropan)2yl)imino)methyl)furan2yl)benzoicacid
C1CC12C3C=CC2C4C3C(=O)N(C4=O)N=CC5=CC=C(O5)C6=CC(=C(C=C6)Cl)C(=O)O
InChI=1SC23H17ClN2O5c24165111(913(16)22(29)30)176212(3117)10252620(27)18143415(19(18)21(26)28)23(14)7823h1691014151819H78H2(H2930)b2510+
MFCD01171017
O=C1N(N=Cc2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)C(=O)C2C1C1C=CC2C21CC2
ZINC000245226625
ZINC000245226627
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