Vitas-M small molecule compound
(3aS,6aR)-3-(1,3-dimethyl-1H-pyrazol-4-yl)-5-(4-ethylphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STK641644
SMILES CCc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C(=NO2)c1cn(nc1C)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 C18H18N4O3 MW 338.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O3/c1-4-11-5-7-12(8-6-11)22-17(23)14-15(20-25-16(14)18(22)24)13-9-21(3)19-10(13)2/h5-9,14,16H,4H2,1-3H3/t14-,16+/m0/s1InChIKey
NPNLRLZERQETBG-GOEBONIOSA-NSynonyms
1013837-36-9(3aS6aR)3(13dimethyl1Hpyrazol4yl)5(4ethylphenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aS6aR)3(13dimethyl1Hpyrazol4yl)5(4ethylphenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
(3aS6aR)3(13dimethylpyrazol4yl)5(4ethylphenyl)3a6adihydropyrrolo(34d)(12)oxazole46dione
1013837369
CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)ON=C3C4=CN(N=C4C)C
CCc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C(=NO2)c1cn(nc1C)C
InChI=1SC18H18N4O3c14115712(8611)2217(23)1415(202516(14)18(22)24)13921(3)1910(13)2h591416H4H213H3t1416+m0s1
MFCD18246693
ZINC000101506912
ZINC101506912
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