Vitas-M small molecule compound
2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide
Catalog ID
STL365555
SMILES O=C(Nc1ccc(cc1)C)CSc1nnc(n1C)C(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 C22H23N5O3S MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O3S/c1-14-8-10-16(11-9-14)23-19(28)13-31-22-25-24-21(26(22)3)15(2)27-17-6-4-5-7-18(17)30-12-20(27)29/h4-11,15H,12-13H2,1-3H3,(H,23,28)InChIKey
BSBPDTCFXNVKDS-UHFFFAOYSA-NSynonyms
2((4methyl5(1(3oxo14benzoxazin4yl)ethyl)124triazol3yl)sulfanyl)N(4methylphenyl)acetamide
2((4methyl5(1(3oxo23dihydro4H14benzoxazin4yl)ethyl)4H124triazol3yl)sulfanyl)N(4methylphenyl)acetamide
CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C(C)N3C(=O)COC4=CC=CC=C43
InChI=1SC22H23N5O3Sc11481016(11914)2319(28)133122252421(26(22)3)15(2)2717645718(17)301220(27)29h41115H1213H213H3(H2328)
MFCD09476480
ZINC000015019277
ZINC000015019278
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