Vitas-M small molecule compound
N~2~-cyclopropyl-N-(2,4-dimethoxyphenyl)-N~2~-{[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}-2-methylalaninamide
Catalog ID
STL439366
SMILES COc1cc(OC)ccc1NC(=O)C(N(C(=O)CC1C(C1(C)C)c1c(C)[nH]c2c1cccc2)C1CC1)(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 C31H39N3O4 MW 517.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39N3O4/c1-18-27(21-10-8-9-11-23(21)32-18)28-22(30(28,2)3)17-26(35)34(19-12-13-19)31(4,5)29(36)33-24-15-14-20(37-6)16-25(24)38-7/h8-11,14-16,19,22,28,32H,12-13,17H2,1-7H3,(H,33,36)InChIKey
KPRUPGPJBBJPNZ-UHFFFAOYSA-NSynonyms
2(CYCLOPROPYL(2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)AMINO)N(24DIMETHOXYPHENYL)2METHYLPROPANAMIDE
2(NCYCLOPROPYL2((1R3S)22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETAMIDO)N(24DIMETHOXYPHENYL)2METHYLPROPANAMIDE
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(C4CC4)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)C1CC1)(C)C
InChI=1SC31H39N3O4c11827(2110891123(21)3218)2822(30(282)3)1726(35)34(19121319)31(45)29(36)3324151420(376)1625(24)387h811141619222832H121317H217H3(H3336)
MFCD29709762
N~2~cyclopropylN(24dimethoxyphenyl)N~2~((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)2methylalaninamide
ZINC000001414660
ZINC000016949632
Check stock
See real-time availability and sample size for STL439366 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.