Vitas-M small molecule compound
ethyl 2-[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK952883
SMILES CCOC(=O)c1c(NC(=O)C2COc3c(O2)cccc3)sc2c1CCC(C2)CC
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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 C22H25NO5S MW 415.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO5S/c1-3-13-9-10-14-18(11-13)29-21(19(14)22(25)26-4-2)23-20(24)17-12-27-15-7-5-6-8-16(15)28-17/h5-8,13,17H,3-4,9-12H2,1-2H3,(H,23,24)InChIKey
ZJVCRASLXJZLLE-UHFFFAOYSA-NSynonyms
868153-69-9868153699
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3COC4=CC=CC=C4O3
ethyl2((23dihydro14benzodioxin2ylcarbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(23dihydro14benzodioxine3carbonylamino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H25NO5Sc13139101418(1113)2921(19(14)22(25)2642)2320(24)17122715756816(15)2817h581317H34912H212H3(H2324)
MFCD05885020
ZINC000002708037
ZINC000002708042
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