Vitas-M small molecule compound
3-(3,4-dimethoxyphenyl)-5-(2-methyl-4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STL335107
SMILES COc1ccc(cc1OC)C1=NOC2C1C(=O)N(C2=O)c1ccc(cc1C)[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 C20H17N3O7 MW 411.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O7/c1-10-8-12(23(26)27)5-6-13(10)22-19(24)16-17(21-30-18(16)20(22)25)11-4-7-14(28-2)15(9-11)29-3/h4-9,16,18H,1-3H3InChIKey
YJXOSFDDGICVCQ-UHFFFAOYSA-NSynonyms
(3aR6aS)3(34dimethoxyphenyl)5(2methyl4nitrophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
3(34DIMETHOXYPHENYL)5(2METHYL4NITROPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
3(34dimethoxyphenyl)5(2methyl4nitrophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
3(34DIMETHOXYPHENYL)5(2METHYL4NITROPHENYL)3AHPYRROLO(34D)ISOXAZOLE46(5H6AH)DIONE
CC1=C(C=CC(=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)ON=C3C4=CC(=C(C=C4)OC)OC
COc1ccc(cc1OC)C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1C)(N+)(=O)(O)
COc1ccc(cc1OC)C1=NOC2C1C(=O)N(C2=O)c1ccc(cc1C)(N+)(=O)(O)
InChI=1SC20H17N3O7c110812(23(26)27)5613(10)2219(24)1617(213018(16)20(22)25)114714(282)15(911)293h491618H13H3
MFCD07201380
ZINC000100880683
ZINC000101362111
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.