Vitas-M small molecule compound

2-({5-[(2,5-dimethylphenoxy)methyl]-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

Catalog ID
STK230690
SMILES O=C(Nc1scc(n1)C)CSc1nnc(n1C(C)C)COc1cc(C)ccc1C

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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 C20H25N5O2S2 MW 431.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O2S2/c1-12(2)25-17(9-27-16-8-13(3)6-7-14(16)4)23-24-20(25)29-11-18(26)22-19-21-15(5)10-28-19/h6-8,10,12H,9,11H2,1-5H3,(H,21,22,26)
InChIKey
UIOITTGGDRKGLR-UHFFFAOYSA-N
Synonyms

2((5((25dimethylphenoxy)methyl)4(propan2yl)4H124triazol3yl)sulfanyl)N(4methyl13thiazol2yl)acetamide
2((5((25DIMETHYLPHENOXY)METHYL)4PROPAN2YL124TRIAZOL3YL)SULFANYL)N(4METHYL13THIAZOL2YL)ACETAMIDE
CC1=CC(=C(C=C1)C)OCC2=NN=C(N2C(C)C)SCC(=O)NC3=NC(=CS3)C
InChI=1SC20H25N5O2S2c112(2)2517(92716813(3)6714(16)4)232420(25)291118(26)22192115(5)102819h681012H911H215H3(H212226)
MFCD07791482
ZINC000009289868
ZINC09289868
ZINC9289868

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Available files

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