Vitas-M small molecule compound
2-chloro-5-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoic acid
Catalog ID
STL282391
SMILES O=C1N(c2ccc(c(c2)C(=O)O)Cl)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 C18H14ClNO4 MW 343.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClNO4/c19-13-4-1-7(5-12(13)18(23)24)20-16(21)14-8-2-3-9(11-6-10(8)11)15(14)17(20)22/h1-5,8-11,14-15H,6H2,(H,23,24)InChIKey
ZGULSVCHJUAVDG-UHFFFAOYSA-NSynonyms
354812-59-22CHLORO5((3AR4S4AS5AR6R6AS)13DIOXOOCTAHYDRO46ETHENOCYCLOPROPA(F)ISOINDOL2(1H)YL)BENZOICACID
2chloro5(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoicacid
354812592
C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=CC(=C(C=C5)Cl)C(=O)O
InChI=1SC18H14ClNO4c1913417(512(13)18(23)24)2016(21)148239(11610(8)11)15(14)17(20)22h158111415H6H2(H2324)
MFCD01142184
ZINC000239438980
ZINC000239438983
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