Vitas-M small molecule compound
N-{4-[(3aS,6aR)-3-(1,5-dimethyl-1H-pyrazol-4-yl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl}acetamide
Catalog ID
STK618455
SMILES CC(=O)Nc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C(=NO2)c1cnn(c1C)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 C18H17N5O4 MW 367.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O4/c1-9-13(8-19-22(9)3)15-14-16(27-21-15)18(26)23(17(14)25)12-6-4-11(5-7-12)20-10(2)24/h4-8,14,16H,1-3H3,(H,20,24)/t14-,16+/m0/s1InChIKey
RFUYHQKSBYTZPM-GOEBONIOSA-NSynonyms
1013794-09-61013794096
CC(=O)Nc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C(=NO2)c1cnn(c1C)C
CC1=C(C=NN1C)C2=NOC3C2C(=O)N(C3=O)C4=CC=C(C=C4)NC(=O)C
InChI=1SC18H17N5O4c1913(81922(9)3)151416(272115)18(26)23(17(14)25)126411(5712)2010(2)24h481416H13H3(H2024)t1416+m0s1
MFCD18246354
N(4((3aS6aR)3(15dimethyl1Hpyrazol4yl)46dioxo3a466atetrahydro5Hpyrrolo(34d)(12)oxazol5yl)phenyl)acetamide
N(4((3aS6aR)3(15dimethyl1Hpyrazol4yl)46dioxo66adihydro3aHpyrrolo(34d)isoxazol5(4H)yl)phenyl)acetamide
N(4((3aS6aR)3(15dimethylpyrazol4yl)46dioxo3a6adihydropyrrolo(34d)(12)oxazol5yl)phenyl)acetamide
ZINC000101506033
ZINC101506033
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