Vitas-M small molecule compound
5-(4-chloro-3-nitrophenyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STK624460
SMILES O=C1N(c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)C2C1ON=C2c1c(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 C17H14ClN5O5 MW 403.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN5O5/c1-7-12(8(2)21(3)19-7)14-13-15(28-20-14)17(25)22(16(13)24)9-4-5-10(18)11(6-9)23(26)27/h4-6,13,15H,1-3H3InChIKey
XQQZYBNDRKQGGI-UHFFFAOYSA-NSynonyms
(3aS6aR)5(4chloro3nitrophenyl)3(135trimethyl1Hpyrazol4yl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
5(4chloro3nitrophenyl)3(135trimethyl1Hpyrazol4yl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
5(4chloro3nitrophenyl)3(135trimethylpyrazol4yl)3a6adihydropyrrolo(34d)(12)oxazole46dione
CC1=C(C(=NN1C)C)C2=NOC3C2C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O)
InChI=1SC17H14ClN5O5c1712(8(2)21(3)197)141315(282014)17(25)22(16(13)24)94510(18)11(69)23(26)27h461315H13H3
MFCD18159050
O=C1N(c2ccc(c(c2)(N+)(=O)(O))Cl)C(=O)(C@@H)2(C@H)1ON=C2c1c(C)nn(c1C)C
O=C1N(c2ccc(c(c2)(N+)(=O)(O))Cl)C(=O)C2C1ON=C2c1c(C)nn(c1C)C
ZINC000101475334
ZINC000102725765
Check stock
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Check stock on Vitas-MAvailable files
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