Vitas-M small molecule compound
dipropan-2-yl 2,6-dimethyl-4-{1-phenyl-3-[4-(piperidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK821096
SMILES CC(OC(=O)C1=C(C)NC(=C(C1c1cn(nc1c1ccc(cc1)S(=O)(=O)N1CCCCC1)c1ccccc1)C(=O)OC(C)C)C)C
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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 C35H42N4O6S MW 646.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H42N4O6S/c1-22(2)44-34(40)30-24(5)36-25(6)31(35(41)45-23(3)4)32(30)29-21-39(27-13-9-7-10-14-27)37-33(29)26-15-17-28(18-16-26)46(42,43)38-19-11-8-12-20-38/h7,9-10,13-18,21-23,32,36H,8,11-12,19-20H2,1-6H3InChIKey
KPPCAAWLXJNSOP-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5)C(=O)OC(C)C
dipropan2yl26dimethyl4(1phenyl3(4(piperidin1ylsulfonyl)phenyl)1Hpyrazol4yl)14dihydropyridine35dicarboxylate
DIPROPAN2YL26DIMETHYL4(1PHENYL3(4PIPERIDIN1YLSULFONYLPHENYL)PYRAZOL4YL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC35H42N4O6Sc122(2)4434(40)3024(5)3625(6)31(35(41)4523(3)4)32(30)292139(271397101427)3733(29)26151728(181626)46(4243)3819118122038h7910131821233236H811121920H216H3
MFCD03088684
ZINC000150480689
ZINC150480689
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