Vitas-M small molecule compound
cyclopentyl 2-methyl-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK064768
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1cccs1)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 C26H26N2O5S MW 478.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O5S/c1-15-23(26(30)33-19-8-2-3-9-19)24(16-6-4-7-18(12-16)28(31)32)25-20(27-15)13-17(14-21(25)29)22-10-5-11-34-22/h4-7,10-12,17,19,24,27H,2-3,8-9,13-14H2,1H3InChIKey
MFADGQGQJIZEDY-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OC5CCCC5
cyclopentyl2methyl4(3nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
cyclopentyl2methyl4(3nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC26H26N2O5Sc11523(26(30)3319823919)24(1664718(1216)28(31)32)2520(2715)1317(1421(25)29)22105113422h47101217192427H23891314H21H3
MFCD02868445
O=C(C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1cccs1)OC1CCCC1
STK064768
ZINC000020146190
ZINC000020146196
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