Vitas-M small molecule compound
3-chloro-6-[3-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid
Catalog ID
STK445443
SMILES Cc1ccc(cc1)c1nnc(n1c1ccc2c(c1)sc(c2Cl)C(=O)O)S
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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 C18H12ClN3O2S2 MW 401.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClN3O2S2/c1-9-2-4-10(5-3-9)16-20-21-18(25)22(16)11-6-7-12-13(8-11)26-15(14(12)19)17(23)24/h2-8H,1H3,(H,21,25)(H,23,24)InChIKey
MBEZJQCOGOYASL-UHFFFAOYSA-NSynonyms
3chloro6(3(4methylphenyl)5sulfanyl4H124triazol4yl)1benzothiophene2carboxylicacid
3chloro6(3(4methylphenyl)5sulfanylidene1H124triazol4yl)1benzothiophene2carboxylicacid
3CHLORO6(5(4METHYLPHENYL)3SULFANYL(124TRIAZOL4YL))BENZO(B)THIOPHENE2CARBOXYLICACID
CC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC4=C(C=C3)C(=C(S4)C(=O)O)Cl
InChI=1SC18H12ClN3O2S2c192410(539)16202118(25)22(16)11671213(811)2615(14(12)19)17(23)24h28H1H3(H2125)(H2324)
MFCD04057835
ZINC000020394253
ZINC20394253
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