Vitas-M small molecule compound
cyclopentyl 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
STK402766
SMILES COc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC1CCCC1
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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 C27H28N2O7S MW 524.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O7S/c1-14-23(27(32)36-17-6-3-4-7-17)24(16-11-19(29(33)34)26(31)21(13-16)35-2)25-18(28-14)10-15(12-20(25)30)22-8-5-9-37-22/h5,8-9,11,13,15,17,24,28,31H,3-4,6-7,10,12H2,1-2H3InChIKey
CXADKESHBNYKDP-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C(=C4)OC)O)(N+)(=O)(O))C(=O)OC5CCCC5
COc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC1CCCC1
cyclopentyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
cyclopentyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H28N2O7Sc11423(27(32)3617634717)24(161119(29(33)34)26(31)21(1316)352)2518(2814)1015(1220(25)30)228593722h58911131517242831H34671012H212H3
MFCD02868470
ZINC000019848109
ZINC000019848115
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