Vitas-M small molecule compound
azepan-1-yl[6-(3-chloro-4-methoxyphenyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]methanone
Catalog ID
STL359244
SMILES COc1ccc(cc1Cl)C1Nn2c(SC1C(=O)N1CCCCCC1)nnc2c1ccccc1
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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 C24H26ClN5O2S MW 484.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClN5O2S/c1-32-19-12-11-17(15-18(19)25)20-21(23(31)29-13-7-2-3-8-14-29)33-24-27-26-22(30(24)28-20)16-9-5-4-6-10-16/h4-6,9-12,15,20-21,28H,2-3,7-8,13-14H2,1H3InChIKey
WHUXMBVKVJATCF-UHFFFAOYSA-NSynonyms
azepan1yl(6(3chloro4methoxyphenyl)3phenyl67dihydro5H(124)triazolo(34b)(134)thiadiazin7yl)methanone
COC1=C(C=C(C=C1)C2C(SC3=NN=C(N3N2)C4=CC=CC=C4)C(=O)N5CCCCCC5)Cl
InChI=1SC24H26ClN5O2Sc13219121117(1518(19)25)2021(23(31)291372381429)3324272622(30(24)2820)1695461016h4691215202128H23781314H21H3
MFCD08098697
ZINC000009238719
ZINC000009238723
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