Vitas-M small molecule compound

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

Catalog ID
STK273902
SMILES CCn1c(SCC(=O)N2CCN(CC2)C)nnc1C(C(C)C)NC(=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 C22H31FN6O2S MW 462.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31FN6O2S/c1-5-29-20(19(15(2)3)24-21(31)16-8-6-7-9-17(16)23)25-26-22(29)32-14-18(30)28-12-10-27(4)11-13-28/h6-9,15,19H,5,10-14H2,1-4H3,(H,24,31)
InChIKey
DNSHWFOZNPWHOV-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C)C(C(C)C)NC(=O)C3=CC=CC=C3F
InChI=1SC22H31FN6O2Sc152920(19(15(2)3)2421(31)16867917(16)23)252622(29)321418(30)28121027(4)111328h691519H51014H214H3(H2431)
MFCD09268218
N(1(4ETHYL5((2(4METHYLPIPERAZIN1YL)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)2METHYLPROPYL)2FLUOROBENZAMIDE
N(1(4ethyl5(2(4methylpiperazin1yl)2oxoethyl)sulfanyl124triazol3yl)2methylpropyl)2fluorobenzamide
ZINC000019991386
ZINC000019991390

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Available files

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