Vitas-M small molecule compound
4-methoxybenzyl 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK032835
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)Cl)C(=O)CC(C2)(C)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 C30H28ClNO6 MW 534.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28ClNO6/c1-16-25(29(35)38-14-17-5-8-19(36-4)9-6-17)26(27-22(32-16)12-30(2,3)13-23(27)33)21-15-37-24-10-7-18(31)11-20(24)28(21)34/h5-11,15,26,32H,12-14H2,1-4H3InChIKey
BAXQRYJHVNFLRS-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl4(6chloro4oxochromen3yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
4methoxybenzyl4(6chloro4oxo4Hchromen3yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)OCC5=CC=C(C=C5)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)Cl)C(=O)CC(C2)(C)C
InChI=1SC30H28ClNO6c11625(29(35)3814175819(364)9617)26(2722(3216)1230(23)1323(27)33)2115372410718(31)1120(24)28(21)34h511152632H1214H214H3
MFCD01825087
STK032835
ZINC000059844669
ZINC000059844673
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