Vitas-M small molecule compound
N-[(4-methyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Catalog ID
STL365892
SMILES Cc1ccc(cc1)N(S(=O)(=O)C)Cc1nnc(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 C21H22N6O3S2 MW 470.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O3S2/c1-14-8-10-15(11-9-14)27(32(3,29)30)12-19-24-25-21(26(19)2)31-13-18-22-17-7-5-4-6-16(17)20(28)23-18/h4-11H,12-13H2,1-3H3,(H,22,23,28)InChIKey
AUDKBIFOYIRCDA-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N(CC2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3)S(=O)(=O)C
Cc1ccc(cc1)N(S(=O)(=O)C)Cc1nnc(n1C)SCc1nc2ccccc2c(=O)(nH)1
InChI=1SC21H22N6O3S2c11481015(11914)27(32(329)30)1219242521(26(19)2)3113182217754616(17)20(28)2318h411H1213H213H3(H222328)
MFCD14833756
N((4methyl5(((4oxo34dihydroquinazolin2yl)methyl)sulfanyl)4H124triazol3yl)methyl)N(4methylphenyl)methanesulfonamide
N((4methyl5((4oxo1Hquinazolin2yl)methylsulfanyl)124triazol3yl)methyl)N(4methylphenyl)methanesulfonamide
ZINC000015019682
ZINC15019682
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