Vitas-M small molecule compound
2-(4-bromo-3-methylphenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Catalog ID
STK252945
SMILES O=C1N(c2ccc(c(c2)C)Br)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 C18H16BrNO2 MW 358.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrNO2/c1-8-6-9(2-5-14(8)19)20-17(21)15-10-3-4-11(13-7-12(10)13)16(15)18(20)22/h2-6,10-13,15-16H,7H2,1H3InChIKey
BWMJNVVKBAZZHL-UHFFFAOYSA-NSynonyms
2(4bromo3methylphenyl)hexahydro46ethenocyclopropa(f)isoindole13(2H3aH)dione
CC1=C(C=CC(=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5)Br
InChI=1SC18H16BrNO2c1869(2514(8)19)2017(21)15103411(13712(10)13)16(15)18(20)22h2610131516H7H21H3
MFCD03350248
ZINC000239025602
ZINC000239025605
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