Vitas-M small molecule compound
2-phenylethyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK018976
SMILES COc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCc1ccccc1
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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 C29H33NO5 MW 475.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO5/c1-18-25(28(32)35-14-13-19-9-7-6-8-10-19)26(20-11-12-23(33-4)24(15-20)34-5)27-21(30-18)16-29(2,3)17-22(27)31/h6-12,15,26,30H,13-14,16-17H2,1-5H3InChIKey
MCQJRUBNZXIJBD-UHFFFAOYSA-NSynonyms
306749-44-02phenylethyl4(34dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(34dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
306749440
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)OC)C(=O)OCCC4=CC=CC=C4
COc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCc1ccccc1
InChI=1SC29H33NO5c11825(28(32)3514131997681019)26(20111223(334)24(1520)345)2721(3018)1629(23)1722(27)31h612152630H13141617H215H3
MFCD01367266
STK018976
ZINC000019827816
ZINC000019827819
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