Vitas-M small molecule compound

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

Catalog ID
STK221571
SMILES CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1CNC(=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 C21H20FN5O4S MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN5O4S/c1-2-27-18(10-23-20(29)14-5-3-4-6-15(14)22)25-26-21(27)32-11-19(28)24-13-7-8-16-17(9-13)31-12-30-16/h3-9H,2,10-12H2,1H3,(H,23,29)(H,24,28)
InChIKey
ROEHOLCYXANAST-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)CNC(=O)C4=CC=CC=C4F
InChI=1SC21H20FN5O4Sc122718(102320(29)14534615(14)22)252621(27)321119(28)2413781617(913)31123016h39H21012H21H3(H2329)(H2428)
MFCD07398836
N((5((2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)METHYL)2FLUOROBENZAMIDE
N((5(2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)METHYL)2FLUOROBENZAMIDE
ZINC000009263112
ZINC09263112
ZINC9263112

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Available files

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