Vitas-M small molecule compound
N-[2-(4-ethyl-5-{[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide
Catalog ID
STL182619
SMILES CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cccnc1
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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 C20H21FN6O2S MW 428.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21FN6O2S/c1-2-27-17(9-11-23-19(29)15-7-3-4-8-16(15)21)25-26-20(27)30-13-18(28)24-14-6-5-10-22-12-14/h3-8,10,12H,2,9,11,13H2,1H3,(H,23,29)(H,24,28)InChIKey
OZZQCUISEWBPHH-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CN=CC=C2)CCNC(=O)C3=CC=CC=C3F
InChI=1SC20H21FN6O2Sc122717(9112319(29)15734816(15)21)252620(27)301318(28)24146510221214h381012H291113H21H3(H2329)(H2428)
MFCD22125532
N(2(4ethyl5((2oxo2(pyridin3ylamino)ethyl)sulfanyl)4H124triazol3yl)ethyl)2fluorobenzamide
N(2(4ethyl5(2oxo2(pyridin3ylamino)ethyl)sulfanyl124triazol3yl)ethyl)2fluorobenzamide
ZINC000072191613
ZINC72191613
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