Vitas-M small molecule compound
4-{(E)-[2-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate
Catalog ID
STK823773
SMILES CCOc1cc(ccc1OC(=O)C)/C=c\1/sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
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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 C23H19N3O6S MW 465.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O6S/c1-3-29-18-10-14(8-9-17(18)31-13(2)27)11-20-22(28)26-23(33-20)24-21(25-26)19-12-30-15-6-4-5-7-16(15)32-19/h4-11,19H,3,12H2,1-2H3/b20-11+InChIKey
HCIWAXUVLPWTTN-RGVLZGJSSA-NSynonyms
(4((E)(2(23dihydro14benzodioxin3yl)6oxo(13)thiazolo(32b)(124)triazol5ylidene)methyl)2ethoxyphenyl)acetate
4((E)(2(23dihydro14benzodioxin2yl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)2ethoxyphenylacetate
CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
InChI=1SC23H19N3O6Sc1329181014(8917(18)3113(2)27)112022(28)2623(3320)2421(2526)19123015645716(15)3219h41119H312H212H3b2011+
MFCD18075678
ZINC000027020964
ZINC000027020969
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