Vitas-M small molecule compound
(5E)-5-[4-(benzyloxy)benzylidene]-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK815367
SMILES Cc1c(oc2c1cccc2)c1nn2c(n1)s/c(=C/c1ccc(cc1)OCc1ccccc1)/c2=O
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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 C27H19N3O3S MW 465.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N3O3S/c1-17-21-9-5-6-10-22(21)33-24(17)25-28-27-30(29-25)26(31)23(34-27)15-18-11-13-20(14-12-18)32-16-19-7-3-2-4-8-19/h2-15H,16H2,1H3/b23-15+InChIKey
TXRKCDZIRUVMIL-HZHRSRAPSA-NSynonyms
606955-38-8(5E)2(3METHYL1BENZOFURAN2YL)5((4PHENYLMETHOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)5(4(benzyloxy)benzylidene)2(3methyl1benzofuran2yl)(13)thiazolo(32b)(124)triazol6(5H)one
5(4(BENZYLOXY)BENZYLIDENE)2(3METHYLBENZOFURAN2YL)THIAZOLO(32B)(124)TRIAZOL6(5H)ONE
606955388
CC1=C(OC2=CC=CC=C12)C3=NN4C(=O)C(=CC5=CC=C(C=C5)OCC6=CC=CC=C6)SC4=N3
Cc1c(oc2c1cccc2)c1nn2c(n1)sc(=Cc1ccc(cc1)OCc1ccccc1)c2=O
InChI=1SC27H19N3O3Sc117219561022(21)3324(17)25282730(2925)26(31)23(3427)1518111320(141218)3216197324819h215H16H21H3b2315+
MFCD04442623
ZINC000016732385
ZINC16732385
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