Vitas-M small molecule compound
N-{(1Z)-1-[2-(benzylamino)-1-cyano-2-oxoethylidene]-1H-isoindol-3-yl}-3,4-dimethoxybenzamide
Catalog ID
STK716313
SMILES N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(c(c1)OC)OC)/C(=O)NCc1ccccc1
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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 C27H22N4O4 MW 466.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O4/c1-34-22-13-12-18(14-23(22)35-2)26(32)31-25-20-11-7-6-10-19(20)24(30-25)21(15-28)27(33)29-16-17-8-4-3-5-9-17/h3-14H,16H2,1-2H3,(H,29,33)(H,30,31,32)/b24-21-InChIKey
LZROBZFLZKKAKW-FLFQWRMESA-NSynonyms
885184-71-4(Z)N(1(2(benzylamino)1cyano2oxoethylidene)1Hisoindol3yl)34dimethoxybenzamide
885184714
COC1=C(C=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C42)OC
InChI=1SC27H22N4O4c13422131218(1423(22)352)26(32)31252011761019(20)24(3025)21(1528)27(33)2916178435917h314H16H212H3(H2933)(H303132)b2421
MFCD06777305
N#CC(=C1N=C(c2c1cccc2)NC(=O)c1ccc(c(c1)OC)OC)C(=O)NCc1ccccc1
N((1Z)1(2(benzylamino)1cyano2oxoethylidene)1Hisoindol3yl)34dimethoxybenzamide
N((3Z)3(2(benzylamino)1cyano2oxoethylidene)isoindol1yl)34dimethoxybenzamide
ZINC000009487301
ZINC09487301
ZINC9487301
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