Vitas-M small molecule compound
2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile
Catalog ID
STK428875
SMILES N#Cc1c(sc(c1c1ccc(cc1)C(C)C)C)N1C(=O)C2C(C1=O)C1C(=C(C)C)C2CC1
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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 C27H28N2O2S MW 444.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O2S/c1-13(2)16-6-8-17(9-7-16)22-15(5)32-27(20(22)12-28)29-25(30)23-18-10-11-19(21(18)14(3)4)24(23)26(29)31/h6-9,13,18-19,23-24H,10-11H2,1-5H3InChIKey
DVJCYWWUKJRSJW-UHFFFAOYSA-NSynonyms
2(13dioxo8(propan2ylidene)octahydro2H47methanoisoindol2yl)5methyl4(4(propan2yl)phenyl)thiophene3carbonitrile
5METHYL2(8(1METHYLETHYLIDENE)13DIOXOOCTAHYDRO2H47METHANOISOINDOL2YL)4(4(1METHYLETHYL)PHENYL)THIOPHENE3CARBONITRILE
CC1=C(C(=C(S1)N2C(=O)C3C4CCC(C3C2=O)C4=C(C)C)C#N)C5=CC=C(C=C5)C(C)C
InChI=1SC27H28N2O2Sc113(2)166817(9716)2215(5)3227(20(22)1228)2925(30)2318101119(21(18)14(3)4)24(23)26(29)31h691318192324H1011H215H3
MFCD03233415
ZINC000101506873
ZINC000239038741
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