Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407502
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)C(C(C2)C)C(=O)OC
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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 C25H28N2O9S MW 532.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O9S/c1-5-37-7-6-34-25(30)20-13(3)26-15-8-12(2)19(24(29)33-4)23(28)22(15)21(20)14-9-17-18(36-11-35-17)10-16(14)27(31)32/h9-10,12,19,21,26H,5-8,11H2,1-4H3InChIKey
QDMRNONJSCYPEJ-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl27dimethyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl27dimethyl4(6nitro13benzodioxol5yl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)C(C(C2)C)C(=O)OC
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC25H28N2O9Sc1537763425(30)2013(3)2615812(2)19(24(29)334)23(28)22(15)21(20)1491718(36113517)1016(14)27(31)32h91012192126H5811H214H3
MFCD04057151
ZINC000033357381
ZINC000067283931
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