Vitas-M small molecule compound
3-[1-(2-chloro-4-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2-sulfanylquinazolin-4(3H)-one
Catalog ID
STL176927
SMILES Fc1ccc(c(c1)Cl)Cn1cnc(n1)n1c(S)nc2c(c1=O)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 C17H11ClFN5OS MW 387.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11ClFN5OS/c18-13-7-11(19)6-5-10(13)8-23-9-20-16(22-23)24-15(25)12-3-1-2-4-14(12)21-17(24)26/h1-7,9H,8H2,(H,21,26)InChIKey
CCXODSQCOZGVIF-UHFFFAOYSA-NSynonyms
677769-32-33(1((2CHLORO4FLUOROPHENYL)METHYL)124TRIAZOL3YL)2SULFANYLIDENE1HQUINAZOLIN4ONE
3(1(2chloro4fluorobenzyl)1H124triazol3yl)2sulfanylquinazolin4(3H)one
677769323
C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=NN(C=N3)CC4=C(C=C(C=C4)F)Cl
InChI=1SC17H11ClFN5OSc1813711(19)6510(13)82392016(2223)2415(25)12312414(12)2117(24)26h179H8H2(H2126)
MFCD04129898
ZINC000008436552
ZINC08436552
ZINC8436552
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