Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK087426
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)c1cccs1)OCC1CCCO1
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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 C26H26N2O6S MW 494.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O6S/c1-15-23(26(30)34-14-19-4-2-10-33-19)24(16-6-8-18(9-7-16)28(31)32)25-20(27-15)12-17(13-21(25)29)22-5-3-11-35-22/h3,5-9,11,17,19,24,27H,2,4,10,12-14H2,1H3InChIKey
UNAHLEJNWDDJBU-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OCC5CCCO5
InChI=1SC26H26N2O6Sc11523(26(30)34141942103319)24(166818(9716)28(31)32)2520(2715)1217(1321(25)29)2253113522h3591117192427H24101214H21H3
MFCD02868522
O=C(C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)c1cccs1)OCC1CCCO1
oxolan2ylmethyl2methyl4(4nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
STK087426
tetrahydrofuran2ylmethyl2methyl4(4nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000019954692
ZINC000035830489
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