Vitas-M small molecule compound
2-[({4-ethyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinazolin-4(3H)-one
Catalog ID
STK230276
SMILES CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1COc1ccccc1C
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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(12-28-17-11-7-4-8-14(17)2)24-25-21(26)29-13-18-22-16-10-6-5-9-15(16)20(27)23-18/h4-11H,3,12-13H2,1-2H3,(H,22,23,27)InChIKey
CCNJCGHWIFAVBD-UHFFFAOYSA-NSynonyms
2(((4ETHYL5((2METHYLPHENOXY)METHYL)4H124TRIAZOL3YL)SULFANYL)METHYL)QUINAZOLIN4(3H)ONE
2((4ETHYL5((2METHYLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYLMETHYL)1HQUINAZOLIN4ONE
CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)COC4=CC=CC=C4C
CCn1c(SCc2nc3ccccc3c(=O)(nH)2)nnc1COc1ccccc1C
InChI=1SC21H21N5O2Sc132619(1228171174814(17)2)242521(26)29131822161065915(16)20(27)2318h411H31213H212H3(H222327)
MFCD07789637
ZINC000018222161
ZINC18222161
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