Vitas-M small molecule compound
ethyl 2-(5,6-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL020198
SMILES CCOC(=O)c1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)CC(=C(C2)C)C
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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 C21H25NO4S MW 387.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4S/c1-4-26-21(25)17-13-7-5-6-8-16(13)27-20(17)22-18(23)14-9-11(2)12(3)10-15(14)19(22)24/h14-15H,4-10H2,1-3H3InChIKey
IHIXAJAPISJGEL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4CC(=C(CC4C3=O)C)C
ethyl2(56dimethyl13dioxo133a477ahexahydro2Hisoindol2yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(56dimethyl13dioxo3a477atetrahydroisoindol2yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H25NO4Sc142621(25)1713756816(13)2720(17)2218(23)14911(2)12(3)1015(14)19(22)24h1415H410H213H3
MFCD01848159
ZINC000018043644
ZINC000100640146
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