Vitas-M small molecule compound
(5Z)-5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK820473
SMILES CC1Oc2c(C1)cc(cc2)c1nn(cc1/C=c/1\sc2n(c1=O)ncn2)c1ccccc1
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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 C23H17N5O2S MW 427.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N5O2S/c1-14-9-16-10-15(7-8-19(16)30-14)21-17(12-27(26-21)18-5-3-2-4-6-18)11-20-22(29)28-23(31-20)24-13-25-28/h2-8,10-14H,9H2,1H3/b20-11-InChIKey
WAFVIPDMKBZXBT-JAIQZWGSSA-NSynonyms
(5Z)5((3(2methyl23dihydro1benzofuran5yl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(2methyl23dihydro1benzofuran5yl)1phenylpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6one
CC1CC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4C(=O)N5C(=NC=N5)S4)C6=CC=CC=C6
CC1Oc2c(C1)cc(cc2)c1nn(cc1C=c1sc2n(c1=O)ncn2)c1ccccc1
InChI=1SC23H17N5O2Sc1149161015(7819(16)3014)2117(1227(2621)185324618)112022(29)2823(3120)24132528h281014H9H21H3b2011
MFCD03534773
ZINC000016741757
ZINC000016741758
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