Vitas-M small molecule compound
(3aS,6aR)-5-benzyl-3-(1,3-dimethyl-1H-pyrazol-4-yl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STK640058
SMILES O=C1N(Cc2ccccc2)C(=O)[C@H]2[C@@H]1C(=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 C17H16N4O3 MW 324.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O3/c1-10-12(9-20(2)18-10)14-13-15(24-19-14)17(23)21(16(13)22)8-11-6-4-3-5-7-11/h3-7,9,13,15H,8H2,1-2H3/t13-,15+/m0/s1InChIKey
APBMGWJHCNYEHN-DZGCQCFKSA-NSynonyms
1014409-09-6(3aS6aR)5benzyl3(13dimethyl1Hpyrazol4yl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aS6aR)5benzyl3(13dimethyl1Hpyrazol4yl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
(3aS6aR)5benzyl3(13dimethylpyrazol4yl)3a6adihydropyrrolo(34d)(12)oxazole46dione
1014409096
CC1=NN(C=C1C2=NOC3C2C(=O)N(C3=O)CC4=CC=CC=C4)C
InChI=1SC17H16N4O3c11012(920(2)1810)141315(241914)17(23)21(16(13)22)8116435711h3791315H8H212H3t1315+m0s1
MFCD18246668
O=C1N(Cc2ccccc2)C(=O)(C@H)2(C@@H)1C(=NO2)c1cn(nc1C)C
ZINC000101497872
ZINC101497872
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