Vitas-M small molecule compound
2-({[4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinazolin-4(3H)-one
Catalog ID
STK231158
SMILES COc1cccc(c1)c1nnc(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 C20H19N5O2S MW 393.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O2S/c1-3-25-18(13-7-6-8-14(11-13)27-2)23-24-20(25)28-12-17-21-16-10-5-4-9-15(16)19(26)22-17/h4-11H,3,12H2,1-2H3,(H,21,22,26)InChIKey
LLLACOLSIXTBSF-UHFFFAOYSA-NSynonyms
2(((4ethyl5(3methoxyphenyl)4H124triazol3yl)sulfanyl)methyl)quinazolin4(3H)one
2((4ETHYL5(3METHOXYPHENYL)124TRIAZOL3YL)SULFANYLMETHYL)1HQUINAZOLIN4ONE
CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC(=CC=C4)OC
COc1cccc(c1)c1nnc(n1CC)SCc1nc2ccccc2c(=O)(nH)1
InChI=1SC20H19N5O2Sc132518(1376814(1113)272)232420(25)28121721161054915(16)19(26)2217h411H312H212H3(H212226)
MFCD07791715
ZINC000004736503
ZINC04736503
ZINC4736503
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