Vitas-M small molecule compound
3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole
Catalog ID
STK807334
SMILES COc1ccc2c(c1)sc(c2Cl)c1nnc(n1C)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 C21H18ClN3OS2 MW 427.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3OS2/c1-25-20(19-18(22)16-11-10-15(26-2)13-17(16)28-19)23-24-21(25)27-12-6-9-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3/b9-6+InChIKey
CXVUYSFKGAQQTG-RMKNXTFCSA-NSynonyms
620572-07-82(5((2E)3PHENYLPROP2ENYLTHIO)4METHYL(124TRIAZOL3YL))3CHLORO6METHOXYBENZO(B)THIOPHENE
3(3chloro6methoxy1benzothiophen2yl)4methyl5(((2E)3phenylprop2en1yl)sulfanyl)4H124triazole
3(3CHLORO6METHOXY1BENZOTHIOPHEN2YL)4METHYL5((E)3PHENYLPROP2ENYL)SULFANYL124TRIAZOLE
620572078
CN1C(=NN=C1SCC=CC2=CC=CC=C2)C3=C(C4=C(S3)C=C(C=C4)OC)Cl
COc1ccc2c(c1)sc(c2Cl)c1nnc(n1C)SCC=Cc1ccccc1
InChI=1SC21H18ClN3OS2c12520(1918(22)16111015(262)1317(16)2819)232421(25)271269147435814h31113H12H212H3b96+
MFCD04214708
ZINC000002696159
ZINC02696159
ZINC2696159
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