Vitas-M small molecule compound
benzyl 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK013674
SMILES Clc1ccc2c(c1)c(=O)c(co2)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccccc1
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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 C27H22ClNO5 MW 475.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClNO5/c1-15-23(27(32)34-13-16-6-3-2-4-7-16)24(25-20(29-15)8-5-9-21(25)30)19-14-33-22-11-10-17(28)12-18(22)26(19)31/h2-4,6-7,10-12,14,24,29H,5,8-9,13H2,1H3InChIKey
FHJGOSHIILEXPP-UHFFFAOYSA-NSynonyms
benzyl4(6chloro4oxo4Hchromen3yl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(6chloro4oxochromen3yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)OCC5=CC=CC=C5
Clc1ccc2c(c1)c(=O)c(co2)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccccc1
InChI=1SC27H22ClNO5c11523(27(32)3413166324716)24(2520(2915)85921(25)30)19143322111017(28)1218(22)26(19)31h24671012142429H58913H21H3
MFCD02188807
STK013674
ZINC000000717236
ZINC000000717237
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