Vitas-M small molecule compound
3-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione
Catalog ID
STK304764
SMILES CCn1c(nnc1CCn1nc(c(c1C)[N+](=O)[O-])C)SC1CC(=O)N(C1=O)c1cc(C)cc(c1)C
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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 C23H27N7O4S MW 497.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N7O4S/c1-6-27-19(7-8-28-16(5)21(30(33)34)15(4)26-28)24-25-23(27)35-18-12-20(31)29(22(18)32)17-10-13(2)9-14(3)11-17/h9-11,18H,6-8,12H2,1-5H3InChIKey
MWRMOOQFBONWLI-UHFFFAOYSA-NSynonyms
1005581-57-61005581576
3((5(2(35dimethyl4nitro1Hpyrazol1yl)ethyl)4ethyl4H124triazol3yl)sulfanyl)1(35dimethylphenyl)pyrrolidine25dione
3((5(2(35DIMETHYL4NITROPYRAZOL1YL)ETHYL)4ETHYL124TRIAZOL3YL)SULFANYL)1(35DIMETHYLPHENYL)PYRROLIDINE25DIONE
CCN1C(=NN=C1SC2CC(=O)N(C2=O)C3=CC(=CC(=C3)C)C)CCN4C(=C(C(=N4)C)(N+)(=O)(O))C
CCn1c(nnc1CCn1nc(c(c1C)(N+)(=O)(O))C)SC1CC(=O)N(C1=O)c1cc(C)cc(c1)C
InChI=1SC23H27N7O4Sc162719(782816(5)21(30(33)34)15(4)2628)242523(27)35181220(31)29(22(18)32)171013(2)914(3)1117h91118H6812H215H3
MFCD04045416
ZINC000002781922
ZINC000101896266
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