Vitas-M small molecule compound
N-(2-chloro-6-fluorobenzyl)-2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK279360
SMILES CCn1c(SCC(=O)NCc2c(F)cccc2Cl)nnc1c1ccc2c(c1)OCCO2
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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 C21H20ClFN4O3S MW 462.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClFN4O3S/c1-2-27-20(13-6-7-17-18(10-13)30-9-8-29-17)25-26-21(27)31-12-19(28)24-11-14-15(22)4-3-5-16(14)23/h3-7,10H,2,8-9,11-12H2,1H3,(H,24,28)InChIKey
KUFGJBOTDHTJMW-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NCC2=C(C=CC=C2Cl)F)C3=CC4=C(C=C3)OCCO4
InChI=1SC21H20ClFN4O3Sc122720(13671718(1013)30982917)252621(27)311219(28)24111415(22)43516(14)23h3710H2891112H21H3(H2428)
MFCD09269798
N((2chloro6fluorophenyl)methyl)2((5(23dihydro14benzodioxin6yl)4ethyl124triazol3yl)sulfanyl)acetamide
N(2CHLORO6FLUOROBENZYL)2((5(23DIHYDRO14BENZODIOXIN6YL)4ETHYL4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000009193259
ZINC09193259
ZINC9193259
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