Vitas-M small molecule compound

4-[4-(4-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine

Catalog ID
STK069249
SMILES Cc1ccc(cc1)n1c(SC/C=C/c2ccccc2)nnc1c1ccncc1

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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 C23H20N4S MW 384.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4S/c1-18-9-11-21(12-10-18)27-22(20-13-15-24-16-14-20)25-26-23(27)28-17-5-8-19-6-3-2-4-7-19/h2-16H,17H2,1H3/b8-5+
InChIKey
NSBBPQOKLHGYFR-VMPITWQZSA-N
Synonyms
499124-45-7
(E)4(5(cinnamylthio)4(ptolyl)4H124triazol3yl)pyridine
3((2E)3PHENYLPROP2ENYLTHIO)4(4METHYLPHENYL)5(4PYRIDYL)124TRIAZOLE
4(4(4METHYLPHENYL)5(((2E)3PHENYLPROP2EN1YL)SULFANYL)4H124TRIAZOL3YL)PYRIDINE
4(4(4METHYLPHENYL)5((E)3PHENYLPROP2ENYL)SULFANYL124TRIAZOL3YL)PYRIDINE
499124457
CC1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)C4=CC=NC=C4
Cc1ccc(cc1)n1c(SCC=Cc2ccccc2)nnc1c1ccncc1
InChI=1SC23H20N4Sc11891121(121018)2722(20131524161420)252623(27)281758196324719h216H17H21H3b85+
MFCD03224325
STK069249
ZINC000001785827
ZINC01785827
ZINC1785827

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.