Vitas-M small molecule compound
methyl 4-[(3E)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)(hydroxy)methylidene]-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzoate
Catalog ID
STK631753
SMILES COC(=O)c1ccc(cc1)C1N(Cc2cccnc2)C(=O)C(=O)/C/1=C(\c1c(C)n[nH]c1C)/O
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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 C24H22N4O5 MW 446.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5/c1-13-18(14(2)27-26-13)21(29)19-20(16-6-8-17(9-7-16)24(32)33-3)28(23(31)22(19)30)12-15-5-4-10-25-11-15/h4-11,20,29H,12H2,1-3H3,(H,26,27)/b21-19+InChIKey
GFYVTANFSDEABA-XUTLUUPISA-NSynonyms
1240119-60-11240119601
CC1=C(C(=NN1)C)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)C(=O)OC)O
COC(=O)c1ccc(cc1)C1N(Cc2cccnc2)C(=O)C(=O)C1=C(c1c(C)n(nH)c1C)O
InChI=1SC24H22N4O5c11318(14(2)272613)21(29)1920(166817(9716)24(32)333)28(23(31)22(19)30)12155410251115h4112029H12H213H3(H2627)b2119+
methyl4((3E)3((35dimethyl1Hpyrazol4yl)(hydroxy)methylidene)45dioxo1(pyridin3ylmethyl)pyrrolidin2yl)benzoate
methyl4((3E)3((35dimethyl1Hpyrazol4yl)hydroxymethylidene)45dioxo1(pyridin3ylmethyl)pyrrolidin2yl)benzoate
MFCD18159565
ZINC000102737511
ZINC000102737514
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