Vitas-M small molecule compound
2-({4-ethyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
Catalog ID
STL365583
SMILES CCn1c(SCC(=O)Nc2ccc(cc2)F)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 C22H22FN5O3S MW 455.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN5O3S/c1-3-27-21(14(2)28-17-6-4-5-7-18(17)31-12-20(28)30)25-26-22(27)32-13-19(29)24-16-10-8-15(23)9-11-16/h4-11,14H,3,12-13H2,1-2H3,(H,24,29)InChIKey
ISEDUUYAOVPVKJ-UHFFFAOYSA-NSynonyms
2((4ethyl5(1(3oxo14benzoxazin4yl)ethyl)124triazol3yl)sulfanyl)N(4fluorophenyl)acetamide
2((4ethyl5(1(3oxo23dihydro4H14benzoxazin4yl)ethyl)4H124triazol3yl)sulfanyl)N(4fluorophenyl)acetamide
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)C(C)N3C(=O)COC4=CC=CC=C43
InChI=1SC22H22FN5O3Sc132721(14(2)2817645718(17)311220(28)30)252622(27)321319(29)241610815(23)91116h41114H31213H212H3(H2429)
MFCD14279758
ZINC000015019379
ZINC000015019380
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