Vitas-M small molecule compound
4-[{[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}(2-fluorobenzyl)amino]-1-methyl-N-[4-(morpholin-4-yl)phenyl]piperidine-4-carboxamide
Catalog ID
STL439418
SMILES CN1CCC(CC1)(C(=O)Nc1ccc(cc1)N1CCOCC1)N(C(=O)CC1C(C1(C)C)c1c(C)[nH]c2c1cccc2)Cc1ccccc1F
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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 C40H48FN5O3 MW 665.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H48FN5O3/c1-27-36(31-10-6-8-12-34(31)42-27)37-32(39(37,2)3)25-35(47)46(26-28-9-5-7-11-33(28)41)40(17-19-44(4)20-18-40)38(48)43-29-13-15-30(16-14-29)45-21-23-49-24-22-45/h5-16,32,37,42H,17-26H2,1-4H3,(H,43,48)InChIKey
VGBLLXYHSNXODN-UHFFFAOYSA-NSynonyms
4(((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)(2fluorobenzyl)amino)1methylN(4(morpholin4yl)phenyl)piperidine4carboxamide
4((2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)((2FLUOROPHENYL)METHYL)AMINO)1METHYLN(4MORPHOLIN4YLPHENYL)PIPERIDINE4CARBOXAMIDE
4(2((1R3S)22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)N(2FLUOROBENZYL)ACETAMIDO)1METHYLN(4MORPHOLINOPHENYL)PIPERIDINE4CARBOXAMIDE
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(CC4=CC=CC=C4F)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)Cc1ccccc1F
InChI=1SC40H48FN5O3c12736(3110681234(31)4227)3732(39(372)3)2535(47)46(26289571133(28)41)40(171944(4)201840)38(48)4329131530(161429)45212349242245h516323742H1726H214H3(H4348)
MFCD29709806
ZINC000150346626
ZINC000150602762
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