Vitas-M small molecule compound
3-(3,4-dimethoxyphenyl)-5-(4-methyl-3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STL055984
SMILES COc1cc(ccc1OC)C1=NOC2C1C(=O)N(C2=O)c1ccc(c(c1)[N+](=O)[O-])C
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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/c1-10-4-6-12(9-13(10)23(26)27)22-19(24)16-17(21-30-18(16)20(22)25)11-5-7-14(28-2)15(8-11)29-3/h4-9,16,18H,1-3H3InChIKey
PGDCRVUWGQCJBE-UHFFFAOYSA-NSynonyms
(3aR6aS)3(34dimethoxyphenyl)5(4methyl3nitrophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
3(34DIMETHOXYPHENYL)5(4METHYL3NITROPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
3(34dimethoxyphenyl)5(4methyl3nitrophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)ON=C3C4=CC(=C(C=C4)OC)OC)(N+)(=O)(O)
COc1cc(ccc1OC)C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(c(c1)(N+)(=O)(O))C
COc1cc(ccc1OC)C1=NOC2C1C(=O)N(C2=O)c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC20H17N3O7c1104612(913(10)23(26)27)2219(24)1617(213018(16)20(22)25)115714(282)15(811)293h491618H13H3
MFCD07200652
ZINC000009109887
ZINC000102895285
Check stock
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Check stock on Vitas-MAvailable files
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