Vitas-M small molecule compound
3-(3-chlorophenyl)-1-(4-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
Catalog ID
STK679703
SMILES Fc1ccc(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 C21H21ClFN5O MW 413.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClFN5O/c22-15-5-4-6-17(13-15)24-21(29)28(18-10-8-16(23)9-11-18)14-20-26-25-19-7-2-1-3-12-27(19)20/h4-6,8-11,13H,1-3,7,12,14H2,(H,24,29)InChIKey
LIWFHCASZYTFLL-UHFFFAOYSA-NSynonyms
3(3chlorophenyl)1(4fluorophenyl)1(6789tetrahydro5H(124)triazolo(43a)azepin3ylmethyl)urea
C1CCC2=NN=C(N2CC1)CN(C3=CC=C(C=C3)F)C(=O)NC4=CC(=CC=C4)Cl
InChI=1SC21H21ClFN5Oc221554617(1315)2421(29)28(1810816(23)91118)142026251972131227(19)20h4681113H1371214H2(H2429)
MFCD03764252
ZINC000000974244
ZINC00974244
ZINC974244
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