Vitas-M small molecule compound
(3E)-3-[5-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-1-phenylpyrazolidin-3-ylidene]-6-methyl-2H-pyran-2,4(3H)-dione
Catalog ID
STL181587
SMILES CCn1cc(c(n1)C)C1C/C(=C/2\C(=O)OC(=CC2=O)C)/NN1c1ccccc1
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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 C21H22N4O3 MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3/c1-4-24-12-16(14(3)22-24)18-11-17(20-19(26)10-13(2)28-21(20)27)23-25(18)15-8-6-5-7-9-15/h5-10,12,18,23H,4,11H2,1-3H3/b20-17+InChIKey
RHLDTFGODUPAAX-LVZFUZTISA-NSynonyms
1263038-46-5(3E)3(5(1ethyl3methyl1Hpyrazol4yl)1phenylpyrazolidin3ylidene)6methyl2Hpyran24(3H)dione
(3E)3(5(1ethyl3methylpyrazol4yl)1phenylpyrazolidin3ylidene)6methylpyran24dione
1263038465
3(5(1ETHYL3METHYLPYRAZOL4YL)1PHENYLPYRAZOLIDIN3YLIDENE)6METHYLPYRAN24DIONE
CCN1C=C(C(=N1)C)C2CC(=C3C(=O)C=C(OC3=O)C)NN2C4=CC=CC=C4
CCn1cc(c(n1)C)C1CC(=C2C(=O)OC(=CC2=O)C)NN1c1ccccc1
InChI=1SC21H22N4O3c14241216(14(3)2224)181117(2019(26)1013(2)2821(20)27)2325(18)158657915h510121823H411H213H3b2017+
MFCD20760071
ZINC000102450184
ZINC000102450188
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