Vitas-M small molecule compound
(3aR,4S,8aS,8bS)-2-(2-methyl-5-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Catalog ID
STK550292
SMILES O=C([C@H]1N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-])c1ccccc1
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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 C23H21N3O5 MW 419.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O5/c1-13-9-10-15(26(30)31)12-17(13)25-22(28)18-16-8-5-11-24(16)20(19(18)23(25)29)21(27)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,16,18-20H,5,8,11H2,1H3/t16-,18+,19+,20-/m0/s1InChIKey
QWNBLHFUXGLTON-NBYUQASBSA-NSynonyms
1014080-99-9(3AR4S8AS8BS)2(2METHYL5NITROPHENYL)4(PHENYLCARBONYL)HEXAHYDROPYRROLO(34A)PYRROLIZINE13(2H4H)DIONE
(3aR4S8aS8bS)4benzoyl2(2methyl5nitrophenyl)46788a8bhexahydro3aHpyrrolo(34a)pyrrolizine13dione
(3aR4S8aS8bS)4benzoyl2(2methyl5nitrophenyl)hexahydropyrrolo(34a)pyrrolizine13(2H8bH)dione
1014080999
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4CCCN4C(C3C2=O)C(=O)C5=CC=CC=C5
InChI=1SC23H21N3O5c11391015(26(30)31)1217(13)2522(28)1816851124(16)20(19(18)23(25)29)21(27)146324714h246791012161820H5811H21H3t1618+19+20m0s1
O=C((C@H)1N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1cc(ccc1C)(N+)(=O)(O))c1ccccc1
ZINC20190816
Check stock
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Check stock on Vitas-MAvailable files
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