Vitas-M small molecule compound
N-[(4-ethyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
Catalog ID
STL366039
SMILES CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1CN(S(=O)(=O)C)c1ccccc1
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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 C21H22N6O3S2 MW 470.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O3S2/c1-3-26-19(13-27(32(2,29)30)15-9-5-4-6-10-15)24-25-21(26)31-14-18-22-17-12-8-7-11-16(17)20(28)23-18/h4-12H,3,13-14H2,1-2H3,(H,22,23,28)InChIKey
PQUXITIIDWMIAI-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CN(C4=CC=CC=C4)S(=O)(=O)C
CCn1c(SCc2nc3ccccc3c(=O)(nH)2)nnc1CN(S(=O)(=O)C)c1ccccc1
InChI=1SC21H22N6O3S2c132619(1327(32(229)30)1595461015)242521(26)311418221712871116(17)20(28)2318h412H31314H212H3(H222328)
MFCD14833943
N((4ethyl5(((4oxo34dihydroquinazolin2yl)methyl)sulfanyl)4H124triazol3yl)methyl)Nphenylmethanesulfonamide
N((4ethyl5((4oxo1Hquinazolin2yl)methylsulfanyl)124triazol3yl)methyl)Nphenylmethanesulfonamide
ZINC000015019846
ZINC15019846
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