Vitas-M small molecule compound

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

Catalog ID
STK246012
SMILES CCn1c(SCC(=O)Nc2nc3c(s2)cccc3)nnc1CCNC(=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 C22H21FN6O2S2 MW 484.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN6O2S2/c1-2-29-18(11-12-24-20(31)14-7-3-4-8-15(14)23)27-28-22(29)32-13-19(30)26-21-25-16-9-5-6-10-17(16)33-21/h3-10H,2,11-13H2,1H3,(H,24,31)(H,25,26,30)
InChIKey
OOPZUEZPDJTJHX-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)CCNC(=O)C4=CC=CC=C4F
InChI=1SC22H21FN6O2S2c122918(11122420(31)14734815(14)23)272822(29)321319(30)262125169561017(16)3321h310H21113H21H3(H2431)(H252630)
MFCD08670884
N(2(5((2(13BENZOTHIAZOL2YLAMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(2(5(2(13benzothiazol2ylamino)2oxoethyl)sulfanyl4ethyl124triazol3yl)ethyl)2fluorobenzamide
N(2(5(BENZOTHIAZOL2YLCARBAMOYLMETHYLSULFANYL)4ETHYL4H(124)TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
ZINC000009328668
ZINC09328668
ZINC9328668

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Available files

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