Vitas-M small molecule compound
(5Z)-5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK817082
SMILES O=c1/c(=C/c2cn(nc2c2ccc3c(c2)OCCO3)c2ccccc2)/sc2n1nc(n2)c1cccs1
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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(36-26-27-24(29-31(25)26)21-7-4-12-35-21)14-17-15-30(18-5-2-1-3-6-18)28-23(17)16-8-9-19-20(13-16)34-11-10-33-19/h1-9,12-15H,10-11H2/b22-14-InChIKey
HBZSOLPSCCDDFF-HMAPJEAMSA-NSynonyms
(5Z)5((3(23dihydro14benzodioxin6yl)1phenyl1Hpyrazol4yl)methylidene)2(thiophen2yl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(23DIHYDRO14BENZODIOXIN6YL)1PHENYLPYRAZOL4YL)METHYLIDENE)2THIOPHEN2YL(13)THIAZOLO(32B)(124)TRIAZOL6ONE
C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4C(=O)N5C(=NC(=N5)C6=CC=CS6)S4)C7=CC=CC=C7
InChI=1SC26H17N5O3S2c322522(36262724(2931(25)26)2174123521)14171530(185213618)2823(17)16891920(1316)3411103319h191215H1011H2b2214
MFCD03534553
O=c1c(=Cc2cn(nc2c2ccc3c(c2)OCCO3)c2ccccc2)sc2n1nc(n2)c1cccs1
ZINC000016733937
ZINC16733937
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