Vitas-M small molecule compound
2-(3-chloro-2-methylphenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Catalog ID
STK290404
SMILES O=C1C2C3C=CC(C2C(=O)N1c1cccc(c1C)Cl)C1C3C1
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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 C18H16ClNO2 MW 313.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClNO2/c1-8-13(19)3-2-4-14(8)20-17(21)15-9-5-6-10(12-7-11(9)12)16(15)18(20)22/h2-6,9-12,15-16H,7H2,1H3InChIKey
CXJSEJWMMXJMDC-UHFFFAOYSA-NSynonyms
2(3chloro2methylphenyl)hexahydro46ethenocyclopropa(f)isoindole13(2H3aH)dione
CC1=C(C=CC=C1Cl)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC18H16ClNO2c1813(19)32414(8)2017(21)1595610(12711(9)12)16(15)18(20)22h269121516H7H21H3
MFCD00404232
ZINC000239287514
ZINC000239287517
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