Vitas-M small molecule compound
2-({[4-ethyl-5-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinazolin-4(3H)-one
Catalog ID
STK230279
SMILES COc1ccc(cc1)Cc1nnc(n1CC)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 C21H21N5O2S MW 407.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2S/c1-3-26-19(12-14-8-10-15(28-2)11-9-14)24-25-21(26)29-13-18-22-17-7-5-4-6-16(17)20(27)23-18/h4-11H,3,12-13H2,1-2H3,(H,22,23,27)InChIKey
PUGNQQFSGDMCNL-UHFFFAOYSA-NSynonyms
2(((4ETHYL5(4METHOXYBENZYL)4H124TRIAZOL3YL)SULFANYL)METHYL)QUINAZOLIN4(3H)ONE
2((4ETHYL5((4METHOXYPHENYL)METHYL)124TRIAZOL3YL)SULFANYLMETHYL)1HQUINAZOLIN4ONE
CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=C(C=C4)OC
COc1ccc(cc1)Cc1nnc(n1CC)SCc1nc2ccccc2c(=O)(nH)1
InChI=1SC21H21N5O2Sc132619(121481015(282)11914)242521(26)2913182217754616(17)20(27)2318h411H31213H212H3(H222327)
MFCD07789640
ZINC000013571368
ZINC13571368
ZINC18222163
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