Vitas-M small molecule compound
3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-phenyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole
Catalog ID
STK538125
SMILES COc1ccc2c(c1)sc(c2Cl)c1nnc(n1c1ccccc1)SC/C=C/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 C26H20ClN3OS2 MW 490.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClN3OS2/c1-31-20-14-15-21-22(17-20)33-24(23(21)27)25-28-29-26(30(25)19-12-6-3-7-13-19)32-16-8-11-18-9-4-2-5-10-18/h2-15,17H,16H2,1H3/b11-8+InChIKey
UAELWQVNRMDPHE-DHZHZOJOSA-NSynonyms
326882-07-92(5((2E)3PHENYLPROP2ENYLTHIO)4PHENYL(124TRIAZOL3YL))3CHLORO6METHOXYBENZO(B)THIOPHENE
3(3chloro6methoxy1benzothiophen2yl)4phenyl5(((2E)3phenylprop2en1yl)sulfanyl)4H124triazole
3(3CHLORO6METHOXY1BENZOTHIOPHEN2YL)4PHENYL5((E)3PHENYLPROP2ENYL)SULFANYL124TRIAZOLE
3(3chloro6methoxybenzo(b)thiophen2yl)5(cinnamylthio)4phenyl4H124triazole
326882079
COC1=CC2=C(C=C1)C(=C(S2)C3=NN=C(N3C4=CC=CC=C4)SCC=CC5=CC=CC=C5)Cl
COc1ccc2c(c1)sc(c2Cl)c1nnc(n1c1ccccc1)SCC=Cc1ccccc1
InChI=1SC26H20ClN3OS2c1312014152122(1720)3324(23(21)27)25282926(30(25)19126371319)32168111894251018h21517H16H21H3b118+
MFCD02658233
ZINC000002359126
ZINC02359126
ZINC2359126
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