Vitas-M small molecule compound
4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-7,7-dimethyl-4,6,7,8-tetrahydro-2H-chromene-2,5(3H)-dione
Catalog ID
STL569276
SMILES COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)C1CC(=O)OC2=C1C(=O)CC(C2)(C)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 C24H27N3O6 MW 453.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O6/c1-13-23(27(30)31)14(2)26(25-13)12-16-8-15(6-7-19(16)32-5)17-9-21(29)33-20-11-24(3,4)10-18(28)22(17)20/h6-8,17H,9-12H2,1-5H3InChIKey
YSRXBKMYGKXEKN-UHFFFAOYSA-NSynonyms
128963399
4(3((35dimethyl4nitro1Hpyrazol1yl)methyl)4methoxyphenyl)77dimethyl3478tetrahydro2Hchromene25(6H)dione
4(3((35dimethyl4nitro1Hpyrazol1yl)methyl)4methoxyphenyl)77dimethyl4678tetrahydro2Hchromene25(3H)dione
4(3((35dimethyl4nitropyrazol1yl)methyl)4methoxyphenyl)77dimethyl3468tetrahydrochromene25dione
COc1ccc(cc1Cn1nc(c(c1C)(N+)(=O)(O))C)C1CC(=O)OC2=C1C(=O)CC(C2)(C)C
InChI=1SC24H27N3O6c11323(27(30)31)14(2)26(2513)1216815(6719(16)325)17921(29)33201124(34)1018(28)22(17)20h6817H912H215H3
MFCD32654260
ZINC000524735138
ZINC000524735139
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