Vitas-M small molecule compound
2-[2-(2-methylphenyl)-4,6-dioxo-3-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STL020376
SMILES N#Cc1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1C)c1ccccc1
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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 C27H23N3O3S MW 469.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O3S/c1-16-9-5-7-13-20(16)30-23(17-10-3-2-4-11-17)22-24(33-30)26(32)29(25(22)31)27-19(15-28)18-12-6-8-14-21(18)34-27/h2-5,7,9-11,13,22-24H,6,8,12,14H2,1H3InChIKey
DWFDEZFISNNQOH-UHFFFAOYSA-NSynonyms
1005086-18-91005086189
2(2(2methylphenyl)46dioxo3phenyl3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carbonitrile
2(2(2methylphenyl)46dioxo3phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carbonitrile
CC1=CC=CC=C1N2C(C3C(O2)C(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C#N)C6=CC=CC=C6
InChI=1SC27H23N3O3Sc1169571320(16)3023(17103241117)2224(3330)26(32)29(25(22)31)2719(1528)1812681421(18)3427h257911132224H681214H21H3
MFCD02971266
ZINC000102863146
ZINC000245238056
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