Vitas-M small molecule compound
3-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-ylmethyl)urea
Catalog ID
STL274085
SMILES COc1ccc(cc1OC)N(C(=O)Nc1ccc(c(c1)Cl)Cl)Cc1nc2n(n1)CCCCC2
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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 C23H25Cl2N5O3 MW 490.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25Cl2N5O3/c1-32-19-10-8-16(13-20(19)33-2)29(23(31)26-15-7-9-17(24)18(25)12-15)14-21-27-22-6-4-3-5-11-30(22)28-21/h7-10,12-13H,3-6,11,14H2,1-2H3,(H,26,31)InChIKey
QSZZGHMTCPZGQL-UHFFFAOYSA-NSynonyms
((34DICHLOROPHENYL)AMINO)N(34DIMETHOXYPHENYL)N(5H6H7H8H9H124TRIAZOLO(15A)AZAPERHYDROEPIN2YLMETHYL)CARBOXAMIDE
3(34dichlorophenyl)1(34dimethoxyphenyl)1(6789tetrahydro5H(124)triazolo(15a)azepin2ylmethyl)urea
COC1=C(C=C(C=C1)N(CC2=NN3CCCCCC3=N2)C(=O)NC4=CC(=C(C=C4)Cl)Cl)OC
InChI=1SC23H25Cl2N5O3c1321910816(1320(19)332)29(23(31)26157917(24)18(25)1215)1421272264351130(22)2821h7101213H361114H212H3(H2631)
MFCD08545653
ZINC000028534707
ZINC28534707
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