Vitas-M small molecule compound
ethyl 2-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL043324
SMILES CCOC(=O)c1c(sc2c1CCCC2)NC(=O)C12CCC(C2(C)C)(C(=O)O1)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 C21H27NO5S MW 405.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO5S/c1-5-26-16(23)14-12-8-6-7-9-13(12)28-15(14)22-17(24)21-11-10-20(4,18(25)27-21)19(21,2)3/h5-11H2,1-4H3,(H,22,24)InChIKey
BIDOEUQXYABINP-UHFFFAOYSA-NSynonyms
1214628-36-01214628360
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C34CCC(C3(C)C)(C(=O)O4)C
ethyl2(((477trimethyl3oxo2oxabicyclo(221)hept1yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((177trimethyl2oxo3oxabicyclo(221)heptane4carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((1R4S)477trimethyl3oxo2oxabicyclo(221)heptane1carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC21H27NO5Sc152616(23)1412867913(12)2815(14)2217(24)21111020(418(25)2721)19(212)3h511H214H3(H2224)
MFCD03665583
ZINC000001099052
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