Vitas-M small molecule compound

3-(2,3-dimethoxyphenyl)-5-(2-methyl-3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione

Catalog ID
STK569335
SMILES COc1c(OC)cccc1C1=NOC2C1C(=O)N(C2=O)c1cccc(c1C)[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/c1-10-12(7-5-8-13(10)23(26)27)22-19(24)15-16(21-30-18(15)20(22)25)11-6-4-9-14(28-2)17(11)29-3/h4-9,15,18H,1-3H3
InChIKey
UWXKKHUMNBVSTH-UHFFFAOYSA-N
Synonyms

(3aR6aS)3(23dimethoxyphenyl)5(2methyl3nitrophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
3(23DIMETHOXYPHENYL)5(2METHYL3NITROPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
3(23dimethoxyphenyl)5(2methyl3nitrophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
CC1=C(C=CC=C1(N+)(=O)(O))N2C(=O)C3C(C2=O)ON=C3C4=C(C(=CC=C4)OC)OC
COc1c(OC)cccc1C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1cccc(c1C)(N+)(=O)(O)
COc1c(OC)cccc1C1=NOC2C1C(=O)N(C2=O)c1cccc(c1C)(N+)(=O)(O)
InChI=1SC20H17N3O7c11012(75813(10)23(26)27)2219(24)1516(213018(15)20(22)25)1164914(282)17(11)293h491518H13H3
MFCD07198182
ZINC000018209891
ZINC000102556987

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Available files

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