Vitas-M small molecule compound
azepan-1-yl[6-(4-ethoxyphenyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]methanone
Catalog ID
STL359225
SMILES CCOc1ccc(cc1)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 C25H29N5O2S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O2S/c1-2-32-20-14-12-18(13-15-20)21-22(24(31)29-16-8-3-4-9-17-29)33-25-27-26-23(30(25)28-21)19-10-6-5-7-11-19/h5-7,10-15,21-22,28H,2-4,8-9,16-17H2,1H3InChIKey
KANXUCBPVIKHSM-UHFFFAOYSA-NSynonyms
azepan1yl(6(4ethoxyphenyl)3phenyl67dihydro5H(124)triazolo(34b)(134)thiadiazin7yl)methanone
CCOC1=CC=C(C=C1)C2C(SC3=NN=C(N3N2)C4=CC=CC=C4)C(=O)N5CCCCCC5
InChI=1SC25H29N5O2Sc123220141218(131520)2122(24(31)291683491729)3325272623(30(25)2821)19106571119h571015212228H24891617H21H3
MFCD08098671
ZINC000009238492
ZINC000009238496
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