Vitas-M small molecule compound
2-({(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene}amino)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Catalog ID
STK264049
SMILES O=C1N(/N=C/c2ccc(o2)c2ccc(c(c2)Cl)C)C(=O)C2C1C1C=CC2C2C1C2
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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 C23H19ClN2O3 MW 406.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN2O3/c1-11-2-3-12(8-18(11)24)19-7-4-13(29-19)10-25-26-22(27)20-14-5-6-15(17-9-16(14)17)21(20)23(26)28/h2-8,10,14-17,20-21H,9H2,1H3/b25-10+InChIKey
VKBXHIYTVCVTQV-KIBLKLHPSA-NSynonyms
2(((E)(5(3CHLORO4METHYLPHENYL)FURAN2YL)METHYLIDENE)AMINO)HEXAHYDRO46ETHENOCYCLOPROPA(F)ISOINDOLE13(2H3AH)DIONE
CC1=C(C=C(C=C1)C2=CC=C(O2)C=NN3C(=O)C4C5C=CC(C4C3=O)C6C5C6)Cl
InChI=1SC23H19ClN2O3c1112312(818(11)24)197413(2919)10252622(27)20145615(17916(14)17)21(20)23(26)28h281014172021H9H21H3b2510+
MFCD03556317
O=C1N(N=Cc2ccc(o2)c2ccc(c(c2)Cl)C)C(=O)C2C1C1C=CC2C2C1C2
ZINC000245226983
ZINC000245226986
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