Vitas-M small molecule compound
2-{4-[(3aR,6aR)-4,6-dioxo-1-phenyl-5-(prop-2-en-1-yl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl]phenoxy}acetamide
Catalog ID
STK609066
SMILES C=CCN1C(=O)[C@@H]2[C@H](C1=O)N(N=C2c1ccc(cc1)OCC(=O)N)c1ccccc1
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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 C22H20N4O4 MW 404.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4/c1-2-12-25-21(28)18-19(14-8-10-16(11-9-14)30-13-17(23)27)24-26(20(18)22(25)29)15-6-4-3-5-7-15/h2-11,18,20H,1,12-13H2,(H2,23,27)/t18-,20+/m0/s1InChIKey
LVPSURKFZUFVRY-AZUAARDMSA-NSynonyms
1212213-47-21212213472
2(4((3aR6aR)46dioxo1phenyl5(prop2en1yl)13a4566ahexahydropyrrolo(34c)pyrazol3yl)phenoxy)acetamide
2(4((3AR6AR)46DIOXO1PHENYL5PROP2ENYL3A6ADIHYDROPYRROLO(34C)PYRAZOL3YL)PHENOXY)ACETAMIDE
2(4((3aR6aR)5allyl46dioxo1phenyl13a4566ahexahydropyrrolo(34c)pyrazol3yl)phenoxy)acetamide
C=CCN1C(=O)(C@@H)2(C@H)(C1=O)N(N=C2c1ccc(cc1)OCC(=O)N)c1ccccc1
C=CCN1C(=O)C2C(C1=O)N(N=C2C3=CC=C(C=C3)OCC(=O)N)C4=CC=CC=C4
InChI=1SC22H20N4O4c12122521(28)1819(1481016(11914)301317(23)27)2426(20(18)22(25)29)156435715h2111820H11213H2(H22327)t1820+m0s1
MFCD18246249
ZINC000101232488
ZINC101232488
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