Vitas-M small molecule compound
2-phenoxyethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402923
SMILES COc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCCOc1ccccc1
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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 C30H28N2O8S MW 576.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O8S/c1-17-26(30(35)40-11-10-39-20-7-4-3-5-8-20)27(19-14-22(32(36)37)29(34)24(16-19)38-2)28-21(31-17)13-18(15-23(28)33)25-9-6-12-41-25/h3-9,12,14,16,18,27,31,34H,10-11,13,15H2,1-2H3InChIKey
XZRLNDZJAIVZRH-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2phenoxyethyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C(=C4)OC)O)(N+)(=O)(O))C(=O)OCCOC5=CC=CC=C5
COc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCCOc1ccccc1
InChI=1SC30H28N2O8Sc11726(30(35)40111039207435820)27(191422(32(36)37)29(34)24(1619)382)2821(3117)1318(1523(28)33)2596124125h3912141618273134H10111315H212H3
MFCD03370955
ZINC000097939647
ZINC000097939650
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