Vitas-M small molecule compound
2-[(3-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}-1H-indol-1-yl)methyl]benzonitrile
Catalog ID
STK279135
SMILES N#Cc1ccccc1Cn1cc(c2c1cccc2)/C=N/N1C(=O)C2C(C1=O)C1CCC2C=C1
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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 C27H22N4O2 MW 434.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O2/c28-13-19-5-1-2-6-20(19)15-30-16-21(22-7-3-4-8-23(22)30)14-29-31-26(32)24-17-9-10-18(12-11-17)25(24)27(31)33/h1-10,14,16-18,24-25H,11-12,15H2/b29-14+InChIKey
QXPVJWINYAUBGO-IPPBACCNSA-NSynonyms
2((3((E)((13DIOXO133A477AHEXAHYDRO2H47ETHANOISOINDOL2YL)IMINO)METHYL)1HINDOL1YL)METHYL)BENZONITRILE
C1CC2C=CC1C3C2C(=O)N(C3=O)N=CC4=CN(C5=CC=CC=C54)CC6=CC=CC=C6C#N
InChI=1SC27H22N4O2c281319512620(19)15301621(22734823(22)30)14293126(32)241791018(121117)25(24)27(31)33h1101416182425H111215H2b2914+
MFCD09269720
N#Cc1ccccc1Cn1cc(c2c1cccc2)C=NN1C(=O)C2C(C1=O)C1CCC2C=C1
ZINC000101027014
ZINC000107902960
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