Vitas-M small molecule compound
butan-2-yl 4-(3,4-dichlorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK065188
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Cl)Cl)C(=O)CC(C2)c1ccc(cc1)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 C28H29Cl2NO4 MW 514.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29Cl2NO4/c1-5-15(2)35-28(33)25-16(3)31-23-13-19(17-6-9-20(34-4)10-7-17)14-24(32)27(23)26(25)18-8-11-21(29)22(30)12-18/h6-12,15,19,26,31H,5,13-14H2,1-4H3InChIKey
NLJWUDLATOVVSB-UHFFFAOYSA-NSynonyms
butan2yl4(34dichlorophenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butan2yl4(34dichlorophenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)Cl)Cl)C(=O)CC(C2)C4=CC=C(C=C4)OC)C
CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Cl)Cl)C(=O)CC(C2)c1ccc(cc1)OC)C
InChI=1SC28H29Cl2NO4c1515(2)3528(33)2516(3)31231319(176920(344)10717)1424(32)27(23)26(25)1881121(29)22(30)1218h61215192631H51314H214H3
MFCD01528076
STK065188
ZINC000002758189
ZINC000035973829
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