Vitas-M small molecule compound

3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK407478
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)[N+](=O)[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 C25H30N2O9S MW 534.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O9S/c1-6-37-8-7-36-25(31)19-13(3)26-15-9-12(2)18(24(30)35-5)23(29)21(15)20(19)14-10-16(27(32)33)22(28)17(11-14)34-4/h10-12,18,20,26,28H,6-9H2,1-5H3
InChIKey
PDQVVNCQRZRKFZ-UHFFFAOYSA-N
Synonyms

3(2(ethylsulfanyl)ethyl)6methyl4(4hydroxy3methoxy5nitrophenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl4(4hydroxy3methoxy5nitrophenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)(N+)(=O)(O))O)C(=O)C(C(C2)C)C(=O)OC
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)O)(N+)(=O)(O))C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC25H30N2O9Sc1637873625(31)1913(3)2615912(2)18(24(30)355)23(29)21(15)20(19)141016(27(32)33)22(28)17(1114)344h101218202628H69H215H3
MFCD04057127
ZINC000097939679
ZINC000229917476

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Available files

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