Vitas-M small molecule compound

4-(cyclopropyl{[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}amino)-N-(4-methoxyphenyl)-1-methylpiperidine-4-carboxamide

Catalog ID
STL439432
SMILES COc1ccc(cc1)NC(=O)C1(CCN(CC1)C)N(C(=O)CC1C(C1(C)C)c1c(C)[nH]c2c1cccc2)C1CC1

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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 C33H42N4O3 MW 542.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H42N4O3/c1-21-29(25-8-6-7-9-27(25)34-21)30-26(32(30,2)3)20-28(38)37(23-12-13-23)33(16-18-36(4)19-17-33)31(39)35-22-10-14-24(40-5)15-11-22/h6-11,14-15,23,26,30,34H,12-13,16-20H2,1-5H3,(H,35,39)
InChIKey
IGWFBYWUICWPQV-UHFFFAOYSA-N
Synonyms

4(cyclopropyl((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)amino)N(4methoxyphenyl)1methylpiperidine4carboxamide
4(CYCLOPROPYL(2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)AMINO)N(4METHOXYPHENYL)1METHYLPIPERIDINE4CARBOXAMIDE
4(NCYCLOPROPYL2((1R3S)22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETAMIDO)N(4METHOXYPHENYL)1METHYLPIPERIDINE4CARBOXAMIDE
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(C4CC4)C5(CCN(CC5)C)C(=O)NC6=CC=C(C=C6)OC
COc1ccc(cc1)NC(=O)C1(CCN(CC1)C)N(C(=O)CC1C(C1(C)C)c1c(C)(nH)c2c1cccc2)C1CC1
InChI=1SC33H42N4O3c12129(25867927(25)3421)3026(32(302)3)2028(38)37(23121323)33(161836(4)191733)31(39)3522101424(405)151122h611141523263034H12131620H215H3(H3539)
MFCD29709818
ZINC000101386152
ZINC000101386157

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.