Vitas-M small molecule compound

N-{(1Z)-1-[2-(benzylamino)-1-cyano-2-oxoethylidene]-1H-isoindol-3-yl}-3,4,5-trimethoxybenzamide

Catalog ID
STK716309
SMILES N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1cc(OC)c(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 C28H24N4O5 MW 496.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O5/c1-35-22-13-18(14-23(36-2)25(22)37-3)27(33)32-26-20-12-8-7-11-19(20)24(31-26)21(15-29)28(34)30-16-17-9-5-4-6-10-17/h4-14H,16H2,1-3H3,(H,30,34)(H,31,32,33)/b24-21-
InChIKey
ZXYACWMZGYJFPC-FLFQWRMESA-N
Synonyms
885184-29-2
(Z)N(1(2(benzylamino)1cyano2oxoethylidene)1Hisoindol3yl)345trimethoxybenzamide
885184292
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NC(=C(C#N)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C42
InChI=1SC28H24N4O5c135221318(1423(362)25(22)373)27(33)32262012871119(20)24(3126)21(1529)28(34)30161795461017h414H16H213H3(H3034)(H313233)b2421
MFCD06613482
N#CC(=C1N=C(c2c1cccc2)NC(=O)c1cc(OC)c(c(c1)OC)OC)C(=O)NCc1ccccc1
N((1Z)1(2(benzylamino)1cyano2oxoethylidene)1Hisoindol3yl)345trimethoxybenzamide
N((3Z)3(2(BENZYLAMINO)1CYANO2OXOETHYLIDENE)ISOINDOL1YL)345TRIMETHOXYBENZAMIDE
ZINC000002363417
ZINC02363417
ZINC2363417

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Available files

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