Vitas-M small molecule compound
2-({(E)-[3-bromo-4-(dimethylamino)phenyl]methylidene}amino)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Catalog ID
STK263879
SMILES O=C1N(/N=C/c2ccc(c(c2)Br)N(C)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 C20H20BrN3O2 MW 414.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN3O2/c1-23(2)16-6-3-10(7-15(16)21)9-22-24-19(25)17-11-4-5-12(14-8-13(11)14)18(17)20(24)26/h3-7,9,11-14,17-18H,8H2,1-2H3/b22-9+InChIKey
IVBZAGPXOHXALC-LSFURLLWSA-NSynonyms
2(((E)(3BROMO4(DIMETHYLAMINO)PHENYL)METHYLIDENE)AMINO)HEXAHYDRO46ETHENOCYCLOPROPA(F)ISOINDOLE13(2H3AH)DIONE
CN(C)C1=C(C=C(C=C1)C=NN2C(=O)C3C4C=CC(C3C2=O)C5C4C5)Br
InChI=1SC20H20BrN3O2c123(2)166310(715(16)21)9222419(25)17114512(14813(11)14)18(17)20(24)26h37911141718H8H212H3b229+
MFCD03715552
O=C1N(N=Cc2ccc(c(c2)Br)N(C)C)C(=O)C2C1C1C=CC2C2C1C2
ZINC000245226702
ZINC000245226705
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