Vitas-M small molecule compound

4-tert-butyl-N-{(1Z)-1-[1-cyano-2-(2,6-dimethylmorpholin-4-yl)-2-oxoethylidene]-1H-isoindol-3-yl}benzamide

Catalog ID
STK716298
SMILES N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)C(C)(C)C)/C(=O)N1CC(C)OC(C1)C

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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 C28H30N4O3 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O3/c1-17-15-32(16-18(2)35-17)27(34)23(14-29)24-21-8-6-7-9-22(21)25(30-24)31-26(33)19-10-12-20(13-11-19)28(3,4)5/h6-13,17-18H,15-16H2,1-5H3,(H,30,31,33)/b24-23-
InChIKey
OQLTXKHFUZXREN-VHXPQNKSSA-N
Synonyms
885183-04-0
(Z)4(tertbutyl)N(1(1cyano2(26dimethylmorpholino)2oxoethylidene)1Hisoindol3yl)benzamide
4tertbutylN((1Z)1(1cyano2(26dimethylmorpholin4yl)2oxoethylidene)1Hisoindol3yl)benzamide
4TERTBUTYLN((3Z)3(1CYANO2(26DIMETHYLMORPHOLIN4YL)2OXOETHYLIDENE)ISOINDOL1YL)BENZAMIDE
885183040
CC1CN(CC(O1)C)C(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)C(C)(C)C)C#N
InChI=1SC28H30N4O3c1171532(1618(2)3517)27(34)23(1429)2421867922(21)25(3024)3126(33)19101220(131119)28(34)5h6131718H1516H215H3(H303133)b2423
MFCD06613970
N#CC(=C1N=C(c2c1cccc2)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1CC(C)OC(C1)C
ZINC000011692113
ZINC000013554334

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Available files

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