Vitas-M small molecule compound
N~2~-{[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}-N-(4-methoxyphenyl)-2-methyl-N~2~-(pyridin-3-ylmethyl)alaninamide
Catalog ID
STL439356
SMILES COc1ccc(cc1)NC(=O)C(N(C(=O)CC1C(C1(C)C)c1c(C)[nH]c2c1cccc2)Cc1cccnc1)(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 C33H38N4O3 MW 538.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H38N4O3/c1-21-29(25-11-7-8-12-27(25)35-21)30-26(32(30,2)3)18-28(38)37(20-22-10-9-17-34-19-22)33(4,5)31(39)36-23-13-15-24(40-6)16-14-23/h7-17,19,26,30,35H,18,20H2,1-6H3,(H,36,39)InChIKey
OSPSNOSQKSVJDM-UHFFFAOYSA-NSynonyms
2((2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)(PYRIDIN3YLMETHYL)AMINO)N(4METHOXYPHENYL)2METHYLPROPANAMIDE
2(2((1R3S)22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)N(PYRIDIN3YLMETHYL)ACETAMIDO)N(4METHOXYPHENYL)2METHYLPROPANAMIDE
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(CC4=CN=CC=C4)C(C)(C)C(=O)NC5=CC=C(C=C5)OC
COc1ccc(cc1)NC(=O)C(N(C(=O)CC1C(C1(C)C)c1c(C)(nH)c2c1cccc2)Cc1cccnc1)(C)C
InChI=1SC33H38N4O3c12129(2511781227(25)3521)3026(32(302)3)1828(38)37(202210917341922)33(45)31(39)3623131524(406)161423h71719263035H1820H216H3(H3639)
MFCD29709754
N~2~((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)N(4methoxyphenyl)2methylN~2~(pyridin3ylmethyl)alaninamide
ZINC000001414655
ZINC000101386448
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.