Vitas-M small molecule compound
4-chloro-N-[1-(4-methyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Catalog ID
STK289145
SMILES Clc1ccc(cc1)C(=O)NC(c1nnc(n1C)SCc1nc2ccccc2c(=O)[nH]1)C
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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 C21H19ClN6O2S MW 454.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN6O2S/c1-12(23-19(29)13-7-9-14(22)10-8-13)18-26-27-21(28(18)2)31-11-17-24-16-6-4-3-5-15(16)20(30)25-17/h3-10,12H,11H2,1-2H3,(H,23,29)(H,24,25,30)InChIKey
YHLMTXQZDFKOMM-UHFFFAOYSA-NSynonyms
4chloroN(1(4methyl5(((4oxo34dihydroquinazolin2yl)methyl)sulfanyl)4H124triazol3yl)ethyl)benzamide
4CHLORON(1(4METHYL5((4OXO1HQUINAZOLIN2YL)METHYLSULFANYL)124TRIAZOL3YL)ETHYL)BENZAMIDE
CC(C1=NN=C(N1C)SCC2=NC(=O)C3=CC=CC=C3N2)NC(=O)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)C(=O)NC(c1nnc(n1C)SCc1nc2ccccc2c(=O)(nH)1)C
InChI=1SC21H19ClN6O2Sc112(2319(29)137914(22)10813)18262721(28(18)2)3111172416643515(16)20(30)2517h31012H11H212H3(H2329)(H242530)
MFCD06007219
ZINC000001066045
ZINC000001066047
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