Vitas-M small molecule compound
(3aR,6aS)-3-(2-chlorophenyl)-5-(5-methoxy-2-methyl-4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STL051386
SMILES COc1cc(c(cc1[N+](=O)[O-])C)N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1ccccc1Cl
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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 C19H14ClN3O6 MW 415.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14ClN3O6/c1-9-7-13(23(26)27)14(28-2)8-12(9)22-18(24)15-16(21-29-17(15)19(22)25)10-5-3-4-6-11(10)20/h3-8,15,17H,1-2H3/t15-,17+/m1/s1InChIKey
KJLCGKAQKQPAJY-WBVHZDCISA-NSynonyms
1212117-07-1(3aR6aS)3(2chlorophenyl)5(5methoxy2methyl4nitrophenyl)3a6adihydropyrrolo(34d)(12)oxazole46dione
(3aR6aS)3(2chlorophenyl)5(5methoxy2methyl4nitrophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)3(2chlorophenyl)5(5methoxy2methyl4nitrophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212117071
CC1=CC(=C(C=C1N2C(=O)C3C(C2=O)ON=C3C4=CC=CC=C4Cl)OC)(N+)(=O)(O)
COc1cc(c(cc1(N+)(=O)(O))C)N1C(=O)(C@@H)2(C@H)(C1=O)C(=NO2)c1ccccc1Cl
InChI=1SC19H14ClN3O6c19713(23(26)27)14(282)812(9)2218(24)1516(212917(15)19(22)25)10534611(10)20h381517H12H3t1517+m1s1
MFCD18249395
ZINC000101195541
ZINC101195541
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