Vitas-M small molecule compound
2-(5-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)acetamide
Catalog ID
STK221706
SMILES CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1CC(=O)Nc1ccccc1F
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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 C21H20FN5O4S MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN5O4S/c1-2-27-18(10-19(28)24-15-6-4-3-5-14(15)22)25-26-21(27)32-11-20(29)23-13-7-8-16-17(9-13)31-12-30-16/h3-9H,2,10-12H2,1H3,(H,23,29)(H,24,28)InChIKey
QFDBKUGWFSKPQU-UHFFFAOYSA-NSynonyms
2(5((2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)N(2FLUOROPHENYL)ACETAMIDE
2(5(2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)N(2FLUOROPHENYL)ACETAMIDE
2(5(BENZO(13)DIOXOL5YLCARBAMOYLMETHYLSULFANYL)4ETHYL4H(124)TRIAZOL3YL)N(2FLUOROPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=CC=C4F
InChI=1SC21H20FN5O4Sc122718(1019(28)2415643514(15)22)252621(27)321120(29)2313781617(913)31123016h39H21012H21H3(H2329)(H2428)
MFCD07399148
ZINC000009263688
ZINC09263688
ZINC9263688
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