Vitas-M small molecule compound
2-({[5-(4-chlorophenyl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinazolin-4(3H)-one
Catalog ID
STL140418
SMILES Clc1ccc(cc1)c1nnc(n1C(C)C)SCc1nc2ccccc2c(=O)[nH]1
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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 C20H18ClN5OS MW 411.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN5OS/c1-12(2)26-18(13-7-9-14(21)10-8-13)24-25-20(26)28-11-17-22-16-6-4-3-5-15(16)19(27)23-17/h3-10,12H,11H2,1-2H3,(H,22,23,27)InChIKey
CVPBXRNIALZBBL-UHFFFAOYSA-NSynonyms
2(((5(4chlorophenyl)4(propan2yl)4H124triazol3yl)sulfanyl)methyl)quinazolin4(3H)one
2((5(4chlorophenyl)4propan2yl124triazol3yl)sulfanylmethyl)1Hquinazolin4one
CC(C)N1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)c1nnc(n1C(C)C)SCc1nc2ccccc2c(=O)(nH)1
InChI=1SC20H18ClN5OSc112(2)2618(137914(21)10813)242520(26)2811172216643515(16)19(27)2317h31012H11H212H3(H222327)
MFCD18434854
ZINC000057291771
ZINC57291771
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