Vitas-M small molecule compound
4-(1-{4-methyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
Catalog ID
STL365533
SMILES Cn1c(SCC(=O)c2ccccc2)nnc1C(N1C(=O)COc2c1cccc2)C
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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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-14(25-16-10-6-7-11-18(16)28-12-19(25)27)20-22-23-21(24(20)2)29-13-17(26)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3InChIKey
PUZLHIQXGZYJMF-UHFFFAOYSA-NSynonyms
4(1(4methyl5((2oxo2phenylethyl)sulfanyl)4H124triazol3yl)ethyl)2H14benzoxazin3(4H)one
4(1(4methyl5phenacylsulfanyl124triazol3yl)ethyl)14benzoxazin3one
CC(C1=NN=C(N1C)SCC(=O)C2=CC=CC=C2)N3C(=O)COC4=CC=CC=C43
InChI=1SC21H20N4O3Sc114(251610671118(16)281219(25)27)20222321(24(20)2)291317(26)158435915h31114H1213H212H3
MFCD09476346
ZINC000015019124
ZINC000015019125
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