Vitas-M small molecule compound
4-[{[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}(pyridin-3-ylmethyl)amino]-1-methyl-N-[4-(morpholin-4-yl)phenyl]piperidine-4-carboxamide
Catalog ID
STL439423
SMILES CN1CCC(CC1)(C(=O)Nc1ccc(cc1)N1CCOCC1)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 C39H48N6O3 MW 648.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H48N6O3/c1-27-35(31-9-5-6-10-33(31)41-27)36-32(38(36,2)3)24-34(46)45(26-28-8-7-17-40-25-28)39(15-18-43(4)19-16-39)37(47)42-29-11-13-30(14-12-29)44-20-22-48-23-21-44/h5-14,17,25,32,36,41H,15-16,18-24,26H2,1-4H3,(H,42,47)InChIKey
XFDMPGBBAKVYPR-UHFFFAOYSA-NSynonyms
4(((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)(pyridin3ylmethyl)amino)1methylN(4(morpholin4yl)phenyl)piperidine4carboxamide
4((2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)(PYRIDIN3YLMETHYL)AMINO)1METHYLN(4MORPHOLIN4YLPHENYL)PIPERIDINE4CARBOXAMIDE
4(2((1R3S)22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)N(PYRIDIN3YLMETHYL)ACETAMIDO)1METHYLN(4MORPHOLINOPHENYL)PIPERIDINE4CARBOXAMIDE
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(CC4=CN=CC=C4)C5(CCN(CC5)C)C(=O)NC6=CC=C(C=C6)N7CCOCC7
CN1CCC(CC1)(C(=O)Nc1ccc(cc1)N1CCOCC1)N(C(=O)CC1C(C1(C)C)c1c(C)(nH)c2c1cccc2)Cc1cccnc1
InChI=1SC39H48N6O3c12735(319561033(31)4127)3632(38(362)3)2434(46)45(26288717402528)39(151843(4)191639)37(47)4229111330(141229)44202248232144h5141725323641H1516182426H214H3(H4247)
MFCD29709811
ZINC000150346630
ZINC000150616924
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