Vitas-M small molecule compound
N-(4-bromo-2,3-dimethylphenyl)-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
STL365470
SMILES O=C(Nc1ccc(c(c1C)C)Br)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 C23H24BrN5O3S MW 530.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24BrN5O3S/c1-13-14(2)17(10-9-16(13)24)25-20(30)12-33-23-27-26-22(28(23)4)15(3)29-18-7-5-6-8-19(18)32-11-21(29)31/h5-10,15H,11-12H2,1-4H3,(H,25,30)InChIKey
HLECWQPKLAGIMX-UHFFFAOYSA-NSynonyms
CC1=C(C=CC(=C1C)Br)NC(=O)CSC2=NN=C(N2C)C(C)N3C(=O)COC4=CC=CC=C43
InChI=1SC23H24BrN5O3Sc11314(2)17(10916(13)24)2520(30)123323272622(28(23)4)15(3)2918756819(18)321121(29)31h51015H1112H214H3(H2530)
MFCD09476283
N(4bromo23dimethylphenyl)2((4methyl5(1(3oxo14benzoxazin4yl)ethyl)124triazol3yl)sulfanyl)acetamide
N(4bromo23dimethylphenyl)2((4methyl5(1(3oxo23dihydro4H14benzoxazin4yl)ethyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000101068924
ZINC000101068929
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