Vitas-M small molecule compound
ethyl 2-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK956348
SMILES CCOC(=O)c1c2CCC(Cc2sc1N1C(=O)C2C(C1=O)C1OC2CC1)C(CC)(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 C24H31NO5S MW 445.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO5S/c1-5-24(3,4)12-7-8-13-16(11-12)31-22(17(13)23(28)29-6-2)25-20(26)18-14-9-10-15(30-14)19(18)21(25)27/h12,14-15,18-19H,5-11H2,1-4H3InChIKey
ZJPQDOHTGPAYAP-UHFFFAOYSA-NSynonyms
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)N3C(=O)C4C5CCC(C4C3=O)O5
ethyl2(13dioxo3a45677ahexahydrooctahydro1H47epoxyisoindol2yl)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(13dioxooctahydro2H47epoxyisoindol2yl)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC24H31NO5Sc1524(34)12781316(1112)3122(17(13)23(28)2962)2520(26)181491015(3014)19(18)21(25)27h1214151819H511H214H3
MFCD03075151
ZINC000102645623
ZINC000239439062
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