Vitas-M small molecule compound
methyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-ethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406901
SMILES CCOc1cc(cc(c1O)Cl)C1C2=C(CC(CC2=O)c2ccc(cc2)CC)NC(=C1C(=O)OC)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/c1-5-16-7-9-17(10-8-16)18-12-21-26(22(31)13-18)25(24(15(3)30-21)28(33)34-4)19-11-20(29)27(32)23(14-19)35-6-2/h7-11,14,18,25,30,32H,5-6,12-13H2,1-4H3InChIKey
HNOQQALMXJTCNH-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)C2CC3=C(C(C(=C(N3)C)C(=O)OC)C4=CC(=C(C(=C4)Cl)O)OCC)C(=O)C2
InChI=1SC28H30ClNO5c15167917(10816)18122126(22(31)1318)25(24(15(3)3021)28(33)344)191120(29)27(32)23(1419)3562h7111418253032H561213H214H3
methyl4(3chloro5ethoxy4hydroxyphenyl)7(4ethylphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3chloro5ethoxy4hydroxyphenyl)7(4ethylphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD06007157
ZINC000016426718
ZINC000016426727
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