Vitas-M small molecule compound
N-(2-hydroxyphenyl)-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
STL365530
SMILES O=C(Nc1ccccc1O)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 C21H21N5O4S MW 439.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4S/c1-13(26-15-8-4-6-10-17(15)30-11-19(26)29)20-23-24-21(25(20)2)31-12-18(28)22-14-7-3-5-9-16(14)27/h3-10,13,27H,11-12H2,1-2H3,(H,22,28)InChIKey
UTZULAKGGPTOAP-UHFFFAOYSA-NSynonyms
CC(C1=NN=C(N1C)SCC(=O)NC2=CC=CC=C2O)N3C(=O)COC4=CC=CC=C43
InChI=1SC21H21N5O4Sc113(26158461017(15)301119(26)29)20232421(25(20)2)311218(28)2214735916(14)27h3101327H1112H212H3(H2228)
MFCD09476343
N(2hydroxyphenyl)2((4methyl5(1(3oxo14benzoxazin4yl)ethyl)124triazol3yl)sulfanyl)acetamide
N(2hydroxyphenyl)2((4methyl5(1(3oxo23dihydro4H14benzoxazin4yl)ethyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000015019120
ZINC000015019121
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