Vitas-M small molecule compound
N-(2,4-dimethoxyphenyl)-4-[{[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}(2-fluorobenzyl)amino]-1-methylpiperidine-4-carboxamide
Catalog ID
STL439417
SMILES COc1cc(OC)ccc1NC(=O)C1(CCN(CC1)C)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 C38H45FN4O4 MW 640.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H45FN4O4/c1-24-34(27-12-8-10-14-30(27)40-24)35-28(37(35,2)3)22-33(44)43(23-25-11-7-9-13-29(25)39)38(17-19-42(4)20-18-38)36(45)41-31-16-15-26(46-5)21-32(31)47-6/h7-16,21,28,35,40H,17-20,22-23H2,1-6H3,(H,41,45)InChIKey
LINHNLOWQAVSJX-UHFFFAOYSA-NSynonyms
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(CC4=CC=CC=C4F)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)Cc1ccccc1F
InChI=1SC38H45FN4O4c12434(27128101430(27)4024)3528(37(352)3)2233(44)43(232511791329(25)39)38(171942(4)201838)36(45)4131161526(465)2132(31)476h71621283540H17202223H216H3(H4145)
MFCD29709805
N(24dimethoxyphenyl)4(((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)(2fluorobenzyl)amino)1methylpiperidine4carboxamide
N(24DIMETHOXYPHENYL)4((2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)((2FLUOROPHENYL)METHYL)AMINO)1METHYLPIPERIDINE4CARBOXAMIDE
N(24DIMETHOXYPHENYL)4(2((1R3S)22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)N(2FLUOROBENZYL)ACETAMIDO)1METHYLPIPERIDINE4CARBOXAMIDE
ZINC000008749407
ZINC000101386197
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