Vitas-M small molecule compound

2-({4-methyl-5-[(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide

Catalog ID
STL364989
SMILES O=C(Nc1ccc(cc1)C)CSc1nnc(n1C)CN1C(=O)COc2c1cccc2

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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 C21H21N5O3S MW 423.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3S/c1-14-7-9-15(10-8-14)22-19(27)13-30-21-24-23-18(25(21)2)11-26-16-5-3-4-6-17(16)29-12-20(26)28/h3-10H,11-13H2,1-2H3,(H,22,27)
InChIKey
ZJOXICQNYXZXIE-UHFFFAOYSA-N
Synonyms

2((4methyl5((3oxo14benzoxazin4yl)methyl)124triazol3yl)sulfanyl)N(4methylphenyl)acetamide
2((4methyl5((3oxo23dihydro4H14benzoxazin4yl)methyl)4H124triazol3yl)sulfanyl)N(4methylphenyl)acetamide
CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CN3C(=O)COC4=CC=CC=C43
InChI=1SC21H21N5O3Sc1147915(10814)2219(27)133021242318(25(21)2)112616534617(16)291220(26)28h310H1113H212H3(H2227)
MFCD09156513
ZINC000009295618
ZINC09295618
ZINC9295618

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Available files

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