Vitas-M small molecule compound
2-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STL020339
SMILES COc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1sc2c(c1C#N)CCCC2)c1ccc(cc1)Cl
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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 C27H22ClN3O4S MW 520.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O4S/c1-34-18-12-6-15(7-13-18)23-22-24(35-31(23)17-10-8-16(28)9-11-17)26(33)30(25(22)32)27-20(14-29)19-4-2-3-5-21(19)36-27/h6-13,22-24H,2-5H2,1H3InChIKey
WVECGOSHLCROMP-UHFFFAOYSA-NSynonyms
1005057-92-01005057920
2(2(4chlorophenyl)3(4methoxyphenyl)46dioxo3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carbonitrile
2(2(4chlorophenyl)3(4methoxyphenyl)46dioxohexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carbonitrile
COC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C#N)ON2C6=CC=C(C=C6)Cl
InChI=1SC27H22ClN3O4Sc1341812615(71318)232224(3531(23)1710816(28)91117)26(33)30(25(22)32)2720(1429)19423521(19)3627h6132224H25H21H3
MFCD02970992
ZINC000017863072
ZINC000137571535
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