Vitas-M small molecule compound
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 acetate
Catalog ID
STK619205
SMILES CC(=O)Oc1ccc(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 C18H16N4O5 MW 368.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O5/c1-9-13(8-19-21(9)3)15-14-16(27-20-15)18(25)22(17(14)24)11-4-6-12(7-5-11)26-10(2)23/h4-8,14,16H,1-3H3/t14-,16+/m0/s1InChIKey
SHWSNVAIEFXHPY-GOEBONIOSA-NSynonyms
1014410-37-7(4((3aS6aR)3(15dimethylpyrazol4yl)46dioxo3a6adihydropyrrolo(34d)(12)oxazol5yl)phenyl)acetate
1014410377
4((3aS6aR)3(15dimethyl1Hpyrazol4yl)46dioxo3a466atetrahydro5Hpyrrolo(34d)(12)oxazol5yl)phenylacetate
4((3aS6aR)3(15dimethyl1Hpyrazol4yl)46dioxo66adihydro3aHpyrrolo(34d)isoxazol5(4H)yl)phenylacetate
CC(=O)Oc1ccc(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)OC(=O)C
InChI=1SC18H16N4O5c1913(81921(9)3)151416(272015)18(25)22(17(14)24)114612(7511)2610(2)23h481416H13H3t1416+m0s1
MFCD18246367
ZINC000101493048
ZINC101493048
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