Vitas-M small molecule compound
(5Z)-2-(3-methyl-1-benzofuran-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
STK816434
SMILES Cc1c(oc2c1cccc2)c1nn2c(n1)s/c(=C\c1cn(nc1c1cccs1)c1ccccc1)/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 C27H17N5O2S2 MW 507.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17N5O2S2/c1-16-19-10-5-6-11-20(19)34-24(16)25-28-27-32(30-25)26(33)22(36-27)14-17-15-31(18-8-3-2-4-9-18)29-23(17)21-12-7-13-35-21/h2-15H,1H3/b22-14-InChIKey
YWMNOQYEKIGFCP-HMAPJEAMSA-NSynonyms
(5Z)2(3methyl1benzofuran2yl)5((1phenyl3(thiophen2yl)1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(3METHYL1BENZOFURAN2YL)5((1PHENYL3THIOPHEN2YLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CC1=C(OC2=CC=CC=C12)C3=NN4C(=O)C(=CC5=CN(N=C5C6=CC=CS6)C7=CC=CC=C7)SC4=N3
Cc1c(oc2c1cccc2)c1nn2c(n1)sc(=Cc1cn(nc1c1cccs1)c1ccccc1)c2=O
InChI=1SC27H17N5O2S2c1161910561120(19)3424(16)25282732(3025)26(33)22(3627)14171531(188324918)2923(17)21127133521h215H1H3b2214
MFCD03534397
ZINC000016733359
ZINC16733359
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