Vitas-M small molecule compound
(5Z)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK704076
SMILES O=c1/c(=C/c2cn(nc2c2cccs2)c2ccccc2)/sc2n1nc(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 C26H17N5O3S2 MW 511.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17N5O3S2/c32-25-22(13-16-14-30(17-7-2-1-3-8-17)28-23(16)21-11-6-12-35-21)36-26-27-24(29-31(25)26)20-15-33-18-9-4-5-10-19(18)34-20/h1-14,20H,15H2/b22-13-InChIKey
SGPMVGFAVXFDLQ-XKZIYDEJSA-NSynonyms
(5Z)2(23dihydro14benzodioxin2yl)5((1phenyl3(thiophen2yl)1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(23DIHYDRO14BENZODIOXIN3YL)5((1PHENYL3THIOPHEN2YLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
C1C(OC2=CC=CC=C2O1)C3=NN4C(=O)C(=CC5=CN(N=C5C6=CC=CS6)C7=CC=CC=C7)SC4=N3
InChI=1SC26H17N5O3S2c322522(13161430(177213817)2823(16)21116123521)36262724(2931(25)26)201533189451019(18)3420h11420H15H2b2213
MFCD03534396
O=c1c(=Cc2cn(nc2c2cccs2)c2ccccc2)sc2n1nc(n2)C1COc2c(O1)cccc2
ZINC000016734177
ZINC000016734180
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