Vitas-M small molecule compound
4-chloro-N-[(4-methyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide
Catalog ID
STK218865
SMILES Clc1ccc(cc1)C(=O)NCc1nnc(n1C)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 C20H17ClN6O2S MW 440.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN6O2S/c1-27-17(10-22-18(28)12-6-8-13(21)9-7-12)25-26-20(27)30-11-16-23-15-5-3-2-4-14(15)19(29)24-16/h2-9H,10-11H2,1H3,(H,22,28)(H,23,24,29)InChIKey
XBGLTDQYGJDVFF-UHFFFAOYSA-NSynonyms
4CHLORON((4METHYL5(((4OXO34DIHYDROQUINAZOLIN2YL)METHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
4CHLORON((4METHYL5((4OXO1HQUINAZOLIN2YL)METHYLSULFANYL)124TRIAZOL3YL)METHYL)BENZAMIDE
Clc1ccc(cc1)C(=O)NCc1nnc(n1C)SCc1nc2ccccc2c(=O)(nH)1
CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CNC(=O)C4=CC=C(C=C4)Cl
InChI=1SC20H17ClN6O2Sc12717(102218(28)126813(21)9712)252620(27)3011162315532414(15)19(29)2416h29H1011H21H3(H2228)(H232429)
MFCD07189201
ZINC000009263954
ZINC09263954
ZINC9263954
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