Vitas-M small molecule compound
2-phenylethyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363471
SMILES COc1ccc(cc1)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 C28H31NO4 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4/c1-18-24(27(31)33-15-14-19-8-6-5-7-9-19)25(20-10-12-21(32-4)13-11-20)26-22(29-18)16-28(2,3)17-23(26)30/h5-13,25,29H,14-17H2,1-4H3InChIKey
MABDESRNHXMABY-UHFFFAOYSA-NSynonyms
2phenylethyl4(4methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(4methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OC)C(=O)OCCC4=CC=CC=C4
InChI=1SC28H31NO4c11824(27(31)331514198657919)25(20101221(324)131120)2622(2918)1628(23)1723(26)30h5132529H1417H214H3
MFCD01193823
ZINC000019643802
ZINC000019643804
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