Vitas-M small molecule compound
(3aS,6aR)-5-(4-chlorophenyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STK624518
SMILES Clc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C(=NO2)c1c(C)nn(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 C17H15ClN4O3 MW 358.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClN4O3/c1-8-12(9(2)21(3)19-8)14-13-15(25-20-14)17(24)22(16(13)23)11-6-4-10(18)5-7-11/h4-7,13,15H,1-3H3/t13-,15+/m0/s1InChIKey
OYFPGHGURPUWRR-DZGCQCFKSA-NSynonyms
956812-03-6(3aS6aR)5(4chlorophenyl)3(135trimethyl1Hpyrazol4yl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aS6aR)5(4chlorophenyl)3(135trimethyl1Hpyrazol4yl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
(3aS6aR)5(4chlorophenyl)3(135trimethylpyrazol4yl)3a6adihydropyrrolo(34d)(12)oxazole46dione
956812036
CC1=C(C(=NN1C)C)C2=NOC3C2C(=O)N(C3=O)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C(=NO2)c1c(C)nn(c1C)C
InChI=1SC17H15ClN4O3c1812(9(2)21(3)198)141315(252014)17(24)22(16(13)23)116410(18)5711h471315H13H3t1315+m0s1
MFCD18246446
ZINC000101487581
ZINC101487581
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