Vitas-M small molecule compound

N-[2-(5-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide

Catalog ID
STK251403
SMILES O=C(NC(C)(C)C)CSc1nnc(n1c1ccccc1)CCNC(=O)c1ccccc1F

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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 C23H26FN5O2S MW 455.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26FN5O2S/c1-23(2,3)26-20(30)15-32-22-28-27-19(29(22)16-9-5-4-6-10-16)13-14-25-21(31)17-11-7-8-12-18(17)24/h4-12H,13-15H2,1-3H3,(H,25,31)(H,26,30)
InChIKey
LPBWVHOXGJUSNO-UHFFFAOYSA-N
Synonyms

CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CCNC(=O)C3=CC=CC=C3F
InChI=1SC23H26FN5O2Sc123(23)2620(30)153222282719(29(22)1695461016)13142521(31)1711781218(17)24h412H1315H213H3(H2531)(H2630)
MFCD08670805
N(2(5((2(TERTBUTYLAMINO)2OXOETHYL)SULFANYL)4PHENYL4H124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(2(5(2(tertbutylamino)2oxoethyl)sulfanyl4phenyl124triazol3yl)ethyl)2fluorobenzamide
N(2(5(TERTBUTYLCARBAMOYLMETHYLSULFANYL)4PHENYL4H(124)TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
ZINC000009668999
ZINC09668999
ZINC9668999

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Available files

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