Vitas-M small molecule compound
N-(4-acetylphenyl)-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)acetamide
Catalog ID
STL365486
SMILES O=C(Nc1ccc(cc1)C(=O)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 C23H23N5O4S MW 465.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O4S/c1-14(28-18-6-4-5-7-19(18)32-12-21(28)31)22-25-26-23(27(22)3)33-13-20(30)24-17-10-8-16(9-11-17)15(2)29/h4-11,14H,12-13H2,1-3H3,(H,24,30)InChIKey
ZQXUZGXAKQVSSW-UHFFFAOYSA-NSynonyms
CC(C1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)C(=O)C)N3C(=O)COC4=CC=CC=C43
InChI=1SC23H23N5O4Sc114(2818645719(18)321221(28)31)22252623(27(22)3)331320(30)241710816(91117)15(2)29h41114H1213H213H3(H2430)
MFCD09476299
N(4acetylphenyl)2((4methyl5(1(3oxo14benzoxazin4yl)ethyl)124triazol3yl)sulfanyl)acetamide
N(4acetylphenyl)2((4methyl5(1(3oxo23dihydro4H14benzoxazin4yl)ethyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000015019050
ZINC000015019051
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