Vitas-M small molecule compound
methyl 2-[(3aR,6aS)-3-(3-nitrophenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Catalog ID
STK553517
SMILES COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)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 C19H13N3O7 MW 395.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N3O7/c1-28-19(25)12-7-2-3-8-13(12)21-17(23)14-15(20-29-16(14)18(21)24)10-5-4-6-11(9-10)22(26)27/h2-9,14,16H,1H3/t14-,16+/m1/s1InChIKey
IUEZNBBMNDWXAK-ZBFHGGJFSA-NSynonyms
1212177-18-81212177188
COC(=O)C1=CC=CC=C1N2C(=O)C3C(C2=O)ON=C3C4=CC(=CC=C4)(N+)(=O)(O)
COC(=O)c1ccccc1N1C(=O)(C@@H)2(C@H)(C1=O)C(=NO2)c1cccc(c1)(N+)(=O)(O)
InChI=1SC19H13N3O7c12819(25)12723813(12)2117(23)1415(202916(14)18(21)24)1054611(910)22(26)27h291416H1H3t1416+m1s1
methyl2((3aR6aS)3(3nitrophenyl)46dioxo3a466atetrahydro5Hpyrrolo(34d)(12)oxazol5yl)benzoate
METHYL2((3AR6AS)3(3NITROPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34D)(12)OXAZOL5YL)BENZOATE
methyl2((3aR6aS)3(3nitrophenyl)46dioxo66adihydro3aHpyrrolo(34d)isoxazol5(4H)yl)benzoate
MFCD18242722
ZINC000101011938
ZINC101011938
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