Vitas-M small molecule compound
2-{[(4-phenyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-1,3-benzothiazole
Catalog ID
STL079455
SMILES c1ccc(cc1)/C=C/CSc1nnc(n1c1ccccc1)CSc1nc2c(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 C25H20N4S3 MW 472.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4S3/c1-3-10-19(11-4-1)12-9-17-30-24-28-27-23(29(24)20-13-5-2-6-14-20)18-31-25-26-21-15-7-8-16-22(21)32-25/h1-16H,17-18H2/b12-9+InChIKey
INNLNVLETCTPAA-FMIVXFBMSA-NSynonyms
2(((4phenyl5(((2E)3phenylprop2en1yl)sulfanyl)4H124triazol3yl)methyl)sulfanyl)13benzothiazole
2((4PHENYL5((E)3PHENYLPROP2ENYL)SULFANYL124TRIAZOL3YL)METHYLSULFANYL)13BENZOTHIAZOLE
2((5((2E)3PHENYLPROP2ENYLTHIO)4PHENYL124TRIAZOL3YL)METHYLTHIO)BENZOTHIAZOLE
C1=CC=C(C=C1)C=CCSC2=NN=C(N2C3=CC=CC=C3)CSC4=NC5=CC=CC=C5S4
c1ccc(cc1)C=CCSc1nnc(n1c1ccccc1)CSc1nc2c(s1)cccc2
InChI=1SC25H20N4S3c131019(1141)129173024282723(29(24)20135261420)183125262115781622(21)3225h116H1718H2b129+
MFCD02659630
ZINC000001794175
ZINC01794175
ZINC1794175
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