Vitas-M small molecule compound
4-[2-(3-nitrophenyl)-5-(4-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl 4-chloro-1-methyl-1H-pyrazole-5-carboxylate
Catalog ID
STL048740
SMILES O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)C2C1C(c1ccc(cc1)OC(=O)c1c(Cl)cnn1C)N(O2)c1cccc(c1)[N+](=O)[O-]
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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 C28H19ClN6O9 MW 618.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19ClN6O9/c1-31-24(21(29)14-30-31)28(38)43-20-11-5-15(6-12-20)23-22-25(44-33(23)18-3-2-4-19(13-18)35(41)42)27(37)32(26(22)36)16-7-9-17(10-8-16)34(39)40/h2-14,22-23,25H,1H3InChIKey
AYXKOFJTDDUYNG-UHFFFAOYSA-NSynonyms
(4(2(3NITROPHENYL)5(4NITROPHENYL)46DIOXO3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)PHENYL)4CHLORO2METHYLPYRAZOLE3CARBOXYLATE
4(2(3nitrophenyl)5(4nitrophenyl)46dioxohexahydro2Hpyrrolo(34d)(12)oxazol3yl)phenyl4chloro1methyl1Hpyrazole5carboxylate
4(2(3nitrophenyl)5(4nitrophenyl)46dioxohexahydro2Hpyrrolo(34d)isoxazol3yl)phenyl4chloro1methyl1Hpyrazole5carboxylate
CN1C(=C(C=N1)Cl)C(=O)OC2=CC=C(C=C2)C3C4C(C(=O)N(C4=O)C5=CC=C(C=C5)(N+)(=O)(O))ON3C6=CC(=CC=C6)(N+)(=O)(O)
InChI=1SC28H19ClN6O9c13124(21(29)143031)28(38)432011515(61220)232225(4433(23)1832419(1318)35(41)42)27(37)32(26(22)36)167917(10816)34(39)40h214222325H1H3
MFCD05727039
O=C1N(c2ccc(cc2)(N+)(=O)(O))C(=O)C2C1C(c1ccc(cc1)OC(=O)c1c(Cl)cnn1C)N(O2)c1cccc(c1)(N+)(=O)(O)
ZINC000102884202
ZINC000225161239
Check stock
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Check stock on Vitas-MAvailable files
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