Vitas-M small molecule compound

N~2~-benzyl-N-(2,4-dimethoxyphenyl)-N~2~-{[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}-2-methylalaninamide

Catalog ID
STL439351
SMILES COc1cc(OC)ccc1NC(=O)C(N(C(=O)CC1C(C1(C)C)c1c(C)[nH]c2c1cccc2)Cc1ccccc1)(C)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 C35H41N3O4 MW 567.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N3O4/c1-22-31(25-15-11-12-16-27(25)36-22)32-26(34(32,2)3)20-30(39)38(21-23-13-9-8-10-14-23)35(4,5)33(40)37-28-18-17-24(41-6)19-29(28)42-7/h8-19,26,32,36H,20-21H2,1-7H3,(H,37,40)
InChIKey
WMJQCBASCCQLGK-UHFFFAOYSA-N
Synonyms

2(BENZYL(2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)AMINO)N(24DIMETHOXYPHENYL)2METHYLPROPANAMIDE
2(NBENZYL2((1R3S)22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETAMIDO)N(24DIMETHOXYPHENYL)2METHYLPROPANAMIDE
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(CC4=CC=CC=C4)C(C)(C)C(=O)NC5=C(C=C(C=C5)OC)OC
COc1cc(OC)ccc1NC(=O)C(N(C(=O)CC1C(C1(C)C)c1c(C)(nH)c2c1cccc2)Cc1ccccc1)(C)C
InChI=1SC35H41N3O4c12231(251511121627(25)3622)3226(34(322)3)2030(39)38(21231398101423)35(45)33(40)3728181724(416)1929(28)427h819263236H2021H217H3(H3740)
MFCD29709751
N~2~benzylN(24dimethoxyphenyl)N~2~((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)2methylalaninamide
ZINC000001414653
ZINC000101386471

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Available files

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