Vitas-M small molecule compound
N-(3-chlorophenyl)-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
STL365498
SMILES O=C(Nc1cccc(c1)Cl)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 C21H20ClN5O3S MW 457.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O3S/c1-13(27-16-8-3-4-9-17(16)30-11-19(27)29)20-24-25-21(26(20)2)31-12-18(28)23-15-7-5-6-14(22)10-15/h3-10,13H,11-12H2,1-2H3,(H,23,28)InChIKey
KCKKOLGNQTWIBG-UHFFFAOYSA-NSynonyms
CC(C1=NN=C(N1C)SCC(=O)NC2=CC(=CC=C2)Cl)N3C(=O)COC4=CC=CC=C43
InChI=1SC21H20ClN5O3Sc113(2716834917(16)301119(27)29)20242521(26(20)2)311218(28)231575614(22)1015h31013H1112H212H3(H2328)
MFCD09476311
N(3chlorophenyl)2((4methyl5(1(3oxo14benzoxazin4yl)ethyl)124triazol3yl)sulfanyl)acetamide
N(3chlorophenyl)2((4methyl5(1(3oxo23dihydro4H14benzoxazin4yl)ethyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000015019068
ZINC000015019069
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