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-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

Catalog ID
STL365519
SMILES O=C(Nc1nnc(s1)c1ccccc1)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 C23H21N7O3S2 MW 507.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N7O3S2/c1-14(30-16-10-6-7-11-17(16)33-12-19(30)32)20-25-28-23(29(20)2)34-13-18(31)24-22-27-26-21(35-22)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,24,27,31)
InChIKey
NEUFVZOPANOUDZ-UHFFFAOYSA-N
Synonyms

2((4methyl5(1(3oxo14benzoxazin4yl)ethyl)124triazol3yl)sulfanyl)N(5phenyl134thiadiazol2yl)acetamide
2((4methyl5(1(3oxo23dihydro4H14benzoxazin4yl)ethyl)4H124triazol3yl)sulfanyl)N(5phenyl134thiadiazol2yl)acetamide
CC(C1=NN=C(N1C)SCC(=O)NC2=NN=C(S2)C3=CC=CC=C3)N4C(=O)COC5=CC=CC=C54
InChI=1SC23H21N7O3S2c114(301610671117(16)331219(30)32)20252823(29(20)2)341318(31)2422272621(3522)158435915h31114H1213H212H3(H242731)
MFCD09476332
ZINC000015019100
ZINC000015019101

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Available files

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