Vitas-M small molecule compound
4-chloro-N-[2-(4-methyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Catalog ID
STK218857
SMILES Clc1ccc(cc1)C(=O)NCCc1nnc(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 C21H19ClN6O2S MW 454.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN6O2S/c1-28-18(10-11-23-19(29)13-6-8-14(22)9-7-13)26-27-21(28)31-12-17-24-16-5-3-2-4-15(16)20(30)25-17/h2-9H,10-12H2,1H3,(H,23,29)(H,24,25,30)InChIKey
RNJHBCKFLIJVCT-UHFFFAOYSA-NSynonyms
4CHLORON(2(4METHYL5(((4OXO34DIHYDROQUINAZOLIN2YL)METHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
4CHLORON(2(4METHYL5((4OXO1HQUINAZOLIN2YL)METHYLSULFANYL)124TRIAZOL3YL)ETHYL)BENZAMIDE
Clc1ccc(cc1)C(=O)NCCc1nnc(n1C)SCc1nc2ccccc2c(=O)(nH)1
CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CCNC(=O)C4=CC=C(C=C4)Cl
InChI=1SC21H19ClN6O2Sc12818(10112319(29)136814(22)9713)262721(28)3112172416532415(16)20(30)2517h29H1012H21H3(H2329)(H242530)
MFCD07189203
ZINC000009263931
ZINC09263931
ZINC9263931
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