Vitas-M small molecule compound
(3aR,6aS)-3-(2,4-dimethoxyphenyl)-5-(4-methyl-3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STK566979
SMILES COc1ccc(c(c1)OC)C1=NO[C@H]2[C@@H]1C(=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/c1-10-4-5-11(8-14(10)23(26)27)22-19(24)16-17(21-30-18(16)20(22)25)13-7-6-12(28-2)9-15(13)29-3/h4-9,16,18H,1-3H3/t16-,18+/m1/s1InChIKey
BRJUXKBPZYTFHY-AEFFLSMTSA-NSynonyms
1212343-06-0(3AR6AS)3(24DIMETHOXYPHENYL)5(4METHYL3NITROPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
(3aR6aS)3(24dimethoxyphenyl)5(4methyl3nitrophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)3(24dimethoxyphenyl)5(4methyl3nitrophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212343060
CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)ON=C3C4=C(C=C(C=C4)OC)OC)(N+)(=O)(O)
COc1ccc(c(c1)OC)C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC20H17N3O7c1104511(814(10)23(26)27)2219(24)1617(213018(16)20(22)25)137612(282)915(13)293h491618H13H3t1618+m1s1
MFCD18245123
ZINC000101235961
ZINC101235961
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