Vitas-M small molecule compound
3-(3-chlorophenyl)-1-(4-ethoxyphenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
Catalog ID
STK780956
SMILES CCOc1ccc(cc1)N(C(=O)Nc1cccc(c1)Cl)Cc1nnc2n1CCCCC2
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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 C23H26ClN5O2 MW 439.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClN5O2/c1-2-31-20-12-10-19(11-13-20)29(23(30)25-18-8-6-7-17(24)15-18)16-22-27-26-21-9-4-3-5-14-28(21)22/h6-8,10-13,15H,2-5,9,14,16H2,1H3,(H,25,30)InChIKey
LPWHVFOMTTXQGR-UHFFFAOYSA-NSynonyms
3(3chlorophenyl)1(4ethoxyphenyl)1(6789tetrahydro5H(124)triazolo(43a)azepin3ylmethyl)urea
CCOC1=CC=C(C=C1)N(CC2=NN=C3N2CCCCC3)C(=O)NC4=CC(=CC=C4)Cl
InChI=1SC23H26ClN5O2c123120121019(111320)29(23(30)251886717(24)1518)162227262194351428(21)22h68101315H2591416H21H3(H2530)
MFCD06014077
ZINC000001432449
ZINC01432449
ZINC1432449
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