Vitas-M small molecule compound
methyl 4-(6-chloro-4-oxo-4H-chromen-3-yl)-7-(3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK035727
SMILES COc1cccc(c1)C1CC(=O)C2=C(C1)NC(=C(C2c1coc2c(c1=O)cc(cc2)Cl)C(=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 C28H24ClNO6 MW 505.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24ClNO6/c1-14-24(28(33)35-3)25(20-13-36-23-8-7-17(29)12-19(23)27(20)32)26-21(30-14)10-16(11-22(26)31)15-5-4-6-18(9-15)34-2/h4-9,12-13,16,25,30H,10-11H2,1-3H3InChIKey
OCCUJEQOXFARHJ-UHFFFAOYSA-NSynonyms
524001-17-0524001170
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=CC=C3)OC)C4=COC5=C(C4=O)C=C(C=C5)Cl)C(=O)OC
COc1cccc(c1)C1CC(=O)C2=C(C1)NC(=C(C2c1coc2c(c1=O)cc(cc2)Cl)C(=O)OC)C
InChI=1SC28H24ClNO6c11424(28(33)353)25(201336238717(29)1219(23)27(20)32)2621(3014)1016(1122(26)31)1554618(915)342h491213162530H1011H213H3
methyl4(6chloro4oxo4Hchromen3yl)7(3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(6chloro4oxochromen3yl)7(3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD03489239
STK035727
ZINC000001434766
ZINC000001434769
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