Vitas-M small molecule compound

(2E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide

Catalog ID
STK820798
SMILES N#C/C(=C\c1ccc2c(c1)OCO2)/C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)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 C22H18N4O4 MW 402.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O4/c1-14-20(22(28)26(25(14)2)17-6-4-3-5-7-17)24-21(27)16(12-23)10-15-8-9-18-19(11-15)30-13-29-18/h3-11H,13H2,1-2H3,(H,24,27)/b16-10+
InChIKey
BXQQCSMELJZPNH-MHWRWJLKSA-N
Synonyms
141736-08-5
(2E)3(13benzodioxol5yl)2cyanoN(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)prop2enamide
(2E)3(2HBENZO(34D)13DIOXOLEN5YL)N(23DIMETHYL5OXO1PHENYL(3PYRAZOLIN4YL))2CYANOPROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)2CYANON(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)PROP2ENAMIDE
(E)3(benzo(d)(13)dioxol5yl)2cyanoN(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)acrylamide
141736085
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=CC4=C(C=C3)OCO4)C#N
InChI=1SC22H18N4O4c11420(22(28)26(25(14)2)176435717)2421(27)16(1223)1015891819(1115)30132918h311H13H212H3(H2427)b1610+
MFCD01956679
N#CC(=Cc1ccc2c(c1)OCO2)C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C
ZINC000004823496
ZINC04823496
ZINC4823496

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Available files

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