Vitas-M small molecule compound
ethyl 2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL024313
SMILES CCOC(=O)c1c(NC=C2C(=O)CC(CC2=O)(C)C)sc2c1CCCC2
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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 C20H25NO4S MW 375.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO4S/c1-4-25-19(24)17-12-7-5-6-8-16(12)26-18(17)21-11-13-14(22)9-20(2,3)10-15(13)23/h11,21H,4-10H2,1-3H3InChIKey
ORWGILGYVXNGNX-UHFFFAOYSA-NSynonyms
535942-49-5535942495
CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=O)CC(CC3=O)(C)C
ethyl2(((44dimethyl26dioxocyclohexylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((44dimethyl26dioxocyclohexylidene)methyl)amino)4567tetrahydrobenzo(b)thiophene3carboxylate
ethyl2((44dimethyl26dioxocyclohexylidene)methylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H25NO4Sc142519(24)1712756816(12)2618(17)21111314(22)920(23)1015(13)23h1121H410H213H3
MFCD03571611
ZINC000101021479
ZINC101021479
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