Vitas-M small molecule compound
(3aR,6aS)-3-(3,4-dimethoxyphenyl)-5-(2-methoxy-4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STL008432
SMILES COc1cc(ccc1N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1ccc(c(c1)OC)OC)[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 C20H17N3O8 MW 427.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O8/c1-28-13-7-4-10(8-15(13)30-3)17-16-18(31-21-17)20(25)22(19(16)24)12-6-5-11(23(26)27)9-14(12)29-2/h4-9,16,18H,1-3H3/t16-,18+/m1/s1InChIKey
XYCWHSAQRUUPMK-AEFFLSMTSA-NSynonyms
1212402-38-4(3aR6aS)3(34dimethoxyphenyl)5(2methoxy4nitrophenyl)3a6adihydropyrrolo(34d)(12)oxazole46dione
(3aR6aS)3(34dimethoxyphenyl)5(2methoxy4nitrophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)3(34dimethoxyphenyl)5(2methoxy4nitrophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212402384
COC1=C(C=C(C=C1)C2=NOC3C2C(=O)N(C3=O)C4=C(C=C(C=C4)(N+)(=O)(O))OC)OC
COc1cc(ccc1N1C(=O)(C@@H)2(C@H)(C1=O)C(=NO2)c1ccc(c(c1)OC)OC)(N+)(=O)(O)
InChI=1SC20H17N3O8c128137410(815(13)303)171618(312117)20(25)22(19(16)24)126511(23(26)27)914(12)292h491618H13H3t1618+m1s1
MFCD18247211
ZINC000101272790
ZINC101272790
Check stock
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Check stock on Vitas-MAvailable files
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