Vitas-M small molecule compound
6-tert-butyl-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK449299
SMILES O=C1N(NC(=O)c2csc3c2CCC(C3)C(C)(C)C)C(=O)C2C1C1CCC2O1
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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 C21H26N2O4S MW 402.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O4S/c1-21(2,3)10-4-5-11-12(9-28-15(11)8-10)18(24)22-23-19(25)16-13-6-7-14(27-13)17(16)20(23)26/h9-10,13-14,16-17H,4-8H2,1-3H3,(H,22,24)InChIKey
PSXHFTHTVFDMEV-UHFFFAOYSA-NSynonyms
6tertbutylN(13dioxo3a45677ahexahydrooctahydro1H47epoxyisoindol2yl)4567tetrahydro1benzothiophene3carboxamide
6tertbutylN(13dioxooctahydro2H47epoxyisoindol2yl)4567tetrahydro1benzothiophene3carboxamide
CC(C)(C)C1CCC2=C(C1)SC=C2C(=O)NN3C(=O)C4C5CCC(C4C3=O)O5
InChI=1SC21H26N2O4Sc121(23)10451112(92815(11)810)18(24)222319(25)16136714(2713)17(16)20(23)26h91013141617H48H213H3(H2224)
MFCD03466962
ZINC000239174306
ZINC000239174309
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