Vitas-M small molecule compound
4-[4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)hexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzonitrile
Catalog ID
STL349292
SMILES N#Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(c(c1OC)OC)OC
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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 C27H23N3O6 MW 485.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O6/c1-33-20-14-13-19(23(34-2)24(20)35-3)22-21-25(36-30(22)18-7-5-4-6-8-18)27(32)29(26(21)31)17-11-9-16(15-28)10-12-17/h4-14,21-22,25H,1-3H3InChIKey
PLRXHJNRIGJJLF-UHFFFAOYSA-NSynonyms
1022490-74-91022490749
4(46DIOXO2PHENYL3(234TRIMETHOXYPHENYL)3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL5YL)BENZONITRILE
4(46dioxo2phenyl3(234trimethoxyphenyl)hexahydro5Hpyrrolo(34d)(12)oxazol5yl)benzonitrile
4(46dioxo2phenyl3(234trimethoxyphenyl)tetrahydro2Hpyrrolo(34d)isoxazol5(3H)yl)benzonitrile
COC1=C(C(=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C#N)ON2C5=CC=CC=C5)OC)OC
InChI=1SC27H23N3O6c13320141319(23(342)24(20)353)222125(3630(22)187546818)27(32)29(26(21)31)1711916(1528)101217h414212225H13H3
MFCD05703473
ZINC000017784057
ZINC000226886480
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