Vitas-M small molecule compound
(3aS,6aR)-5-(4-acetylphenyl)-3-(1,5-dimethyl-1H-pyrazol-4-yl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STK629920
SMILES O=C1N(c2ccc(cc2)C(=O)C)C(=O)[C@@H]2[C@H]1ON=C2c1cnn(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 C18H16N4O4 MW 352.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O4/c1-9-13(8-19-21(9)3)15-14-16(26-20-15)18(25)22(17(14)24)12-6-4-11(5-7-12)10(2)23/h4-8,14,16H,1-3H3/t14-,16+/m0/s1InChIKey
WZWARHVCXKQNFK-GOEBONIOSA-NSynonyms
1014406-58-6(3aS6aR)5(4acetylphenyl)3(15dimethyl1Hpyrazol4yl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aS6aR)5(4acetylphenyl)3(15dimethyl1Hpyrazol4yl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
(3aS6aR)5(4acetylphenyl)3(15dimethylpyrazol4yl)3a6adihydropyrrolo(34d)(12)oxazole46dione
1014406586
CC1=C(C=NN1C)C2=NOC3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)C
InChI=1SC18H16N4O4c1913(81921(9)3)151416(262015)18(25)22(17(14)24)126411(5712)10(2)23h481416H13H3t1416+m0s1
MFCD18246516
O=C1N(c2ccc(cc2)C(=O)C)C(=O)(C@@H)2(C@H)1ON=C2c1cnn(c1C)C
ZINC000101502849
ZINC101502849
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