Vitas-M small molecule compound
benzyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403116
SMILES Cc1ccc2c(c1)c(=O)c(co2)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)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 C32H27NO5S MW 537.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27NO5S/c1-18-10-11-26-22(13-18)31(35)23(17-37-26)29-28(32(36)38-16-20-7-4-3-5-8-20)19(2)33-24-14-21(15-25(34)30(24)29)27-9-6-12-39-27/h3-13,17,21,29,33H,14-16H2,1-2H3InChIKey
IFBHOLABXZQMQW-UHFFFAOYSA-NSynonyms
benzyl2methyl4(6methyl4oxo4Hchromen3yl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
benzyl2methyl4(6methyl4oxochromen3yl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=CC2=C(C=C1)OC=C(C2=O)C3C4=C(CC(CC4=O)C5=CC=CS5)NC(=C3C(=O)OCC6=CC=CC=C6)C
InChI=1SC32H27NO5Sc11810112622(1318)31(35)23(173726)2928(32(36)3816207435820)19(2)33241421(1525(34)30(24)29)2796123927h31317212933H1416H212H3
MFCD03371091
ZINC000001438873
ZINC000001438876
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