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-(4-fluorophenyl)methanesulfonamide
Catalog ID
STL365705
SMILES CCn1c(nnc1CN(S(=O)(=O)C)c1ccc(cc1)F)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 C21H21FN6O3S2 MW 488.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN6O3S2/c1-3-27-19(12-28(33(2,30)31)15-10-8-14(22)9-11-15)25-26-21(27)32-13-18-23-17-7-5-4-6-16(17)20(29)24-18/h4-11H,3,12-13H2,1-2H3,(H,23,24,29)InChIKey
VBKXEVYYSMJPDI-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CN(C4=CC=C(C=C4)F)S(=O)(=O)C
CCn1c(nnc1CN(S(=O)(=O)C)c1ccc(cc1)F)SCc1nc2ccccc2c(=O)(nH)1
InChI=1SC21H21FN6O3S2c132719(1228(33(230)31)1510814(22)91115)252621(27)3213182317754616(17)20(29)2418h411H31213H212H3(H232429)
MFCD27593921
N((4ethyl5(((4oxo34dihydroquinazolin2yl)methyl)sulfanyl)4H124triazol3yl)methyl)N(4fluorophenyl)methanesulfonamide
N((4ethyl5((4oxo1Hquinazolin2yl)methylsulfanyl)124triazol3yl)methyl)N(4fluorophenyl)methanesulfonamide
ZINC000020416374
ZINC20416374
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