Vitas-M small molecule compound
ethyl 2-{[(E)-(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK609236
SMILES CCOC(=O)c1c(N/C=C\2/N=C(OC2=O)c2ccccc2)sc2c1CCCCC2
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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 C22H22N2O4S MW 410.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4S/c1-2-27-22(26)18-15-11-7-4-8-12-17(15)29-20(18)23-13-16-21(25)28-19(24-16)14-9-5-3-6-10-14/h3,5-6,9-10,13,23H,2,4,7-8,11-12H2,1H3/b16-13+InChIKey
WFXOXOSQEGTUSF-DTQAZKPQSA-NSynonyms
(E)ethyl2(((5oxo2phenyloxazol4(5H)ylidene)methyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
CCOC(=O)C1=C(SC2=C1CCCCC2)NC=C3C(=O)OC(=N3)C4=CC=CC=C4
CCOC(=O)c1c(NC=C2N=C(OC2=O)c2ccccc2)sc2c1CCCCC2
ethyl2(((E)(5oxo2phenyl13oxazol4(5H)ylidene)methyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(((E)(5oxo2phenyl13oxazol4ylidene)methyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC22H22N2O4Sc122722(26)1815117481217(15)2920(18)23131621(25)2819(2416)1495361014h3569101323H24781112H21H3b1613+
MFCD02942903
ZINC000013125580
ZINC13125580
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