Vitas-M small molecule compound
N-(2,4-dimethoxyphenyl)-4-[{[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}(pyridin-3-ylmethyl)amino]-1-methylpiperidine-4-carboxamide
Catalog ID
STL439422
SMILES COc1cc(OC)ccc1NC(=O)C1(CCN(CC1)C)N(C(=O)CC1C(C1(C)C)c1c(C)[nH]c2c1cccc2)Cc1cccnc1
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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 C37H45N5O4 MW 623.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H45N5O4/c1-24-33(27-11-7-8-12-29(27)39-24)34-28(36(34,2)3)21-32(43)42(23-25-10-9-17-38-22-25)37(15-18-41(4)19-16-37)35(44)40-30-14-13-26(45-5)20-31(30)46-6/h7-14,17,20,22,28,34,39H,15-16,18-19,21,23H2,1-6H3,(H,40,44)InChIKey
GJRJSGAKIAPDFN-UHFFFAOYSA-NSynonyms
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(CC4=CN=CC=C4)C5(CCN(CC5)C)C(=O)NC6=C(C=C(C=C6)OC)OC
COc1cc(OC)ccc1NC(=O)C1(CCN(CC1)C)N(C(=O)CC1C(C1(C)C)c1c(C)(nH)c2c1cccc2)Cc1cccnc1
InChI=1SC37H45N5O4c12433(2711781229(27)3924)3428(36(342)3)2132(43)42(232510917382225)37(151841(4)191637)35(44)4030141326(455)2031(30)466h714172022283439H151618192123H216H3(H4044)
MFCD29709810
N(24dimethoxyphenyl)4(((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)(pyridin3ylmethyl)amino)1methylpiperidine4carboxamide
N(24DIMETHOXYPHENYL)4((2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)(PYRIDIN3YLMETHYL)AMINO)1METHYLPIPERIDINE4CARBOXAMIDE
N(24DIMETHOXYPHENYL)4(2((1R3S)22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)N(PYRIDIN3YLMETHYL)ACETAMIDO)1METHYLPIPERIDINE4CARBOXAMIDE
ZINC000008696045
ZINC000101386171
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