Vitas-M small molecule compound
N-[1-(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide
Catalog ID
STK197833
SMILES CCn1c(SCC(=O)Nc2nc3c(s2)cccc3)nnc1C(NC(=O)c1ccccc1F)C
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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/c1-3-29-19(13(2)24-20(31)14-8-4-5-9-15(14)23)27-28-22(29)32-12-18(30)26-21-25-16-10-6-7-11-17(16)33-21/h4-11,13H,3,12H2,1-2H3,(H,24,31)(H,25,26,30)InChIKey
UFSNAOOYXJWPCO-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)C(C)NC(=O)C4=CC=CC=C4F
InChI=1SC22H21FN6O2S2c132919(13(2)2420(31)14845915(14)23)272822(29)321218(30)2621251610671117(16)3321h41113H312H212H3(H2431)(H252630)
MFCD06632179
N((1R)1(5((2(13BENZOTHIAZOL2YLAMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N((1S)1(5((2(13BENZOTHIAZOL2YLAMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(1(5((2(13BENZOTHIAZOL2YLAMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(1(5(2(13BENZOTHIAZOL2YLAMINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
ZINC000002887561
ZINC000002887563
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