Vitas-M small molecule compound
2-({[5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)-1,3-benzothiazole
Catalog ID
STK971305
SMILES C=CCn1c(SC/C=C/c2ccccc2)nnc1CSc1nc2c(s1)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 C22H20N4S3 MW 436.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4S3/c1-2-14-26-20(16-28-22-23-18-12-6-7-13-19(18)29-22)24-25-21(26)27-15-8-11-17-9-4-3-5-10-17/h2-13H,1,14-16H2/b11-8+InChIKey
NJHGNCNYKLXGRB-DHZHZOJOSA-NSynonyms
315695-44-42(((5(((2E)3phenylprop2en1yl)sulfanyl)4(prop2en1yl)4H124triazol3yl)methyl)sulfanyl)13benzothiazole
2((5((2E)3PHENYLPROP2ENYLTHIO)4PROP2ENYL124TRIAZOL3YL)METHYLTHIO)BENZOTHIAZOLE
2((5((E)3PHENYLPROP2ENYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYLSULFANYL)13BENZOTHIAZOLE
315695444
C=CCN1C(=NN=C1SCC=CC2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3
C=CCn1c(SCC=Cc2ccccc2)nnc1CSc1nc2c(s1)cccc2
InChI=1SC22H20N4S3c12142620(162822231812671319(18)2922)242521(26)27158111794351017h213H11416H2b118+
MFCD02329926
ZINC000001895701
ZINC01895701
ZINC1895701
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