Vitas-M small molecule compound
methyl 4-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL173066
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1ccccc1Cl)C(=O)CC(C2)(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 C28H30ClNO5 MW 496.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClNO5/c1-16-24(27(32)34-5)25(26-20(30-16)13-28(2,3)14-21(26)31)17-10-11-22(23(12-17)33-4)35-15-18-8-6-7-9-19(18)29/h6-12,25,30H,13-15H2,1-5H3InChIKey
BFZOVCZRFFYFCV-UHFFFAOYSA-NSynonyms
397875-06-837NONADIENENITRILE48DIMETHYL
397875068
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4Cl)OC)C(=O)OC
InChI=1SC28H30ClNO5c11624(27(32)345)25(2620(3016)1328(23)1421(26)31)17101122(23(1217)334)351518867919(18)29h6122530H1315H215H3
methyl4(4((2chlorobenzyl)oxy)3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4((2chlorophenyl)methoxy)3methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD02175131
ZINC000000716162
ZINC000000716164
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