Vitas-M small molecule compound
(4Z)-2-(4-chlorophenyl)-5-methyl-4-[(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-ylamino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL170844
SMILES Clc1ccc(cc1)N1N=C(/C(=C/NC23CN4CN(C3)CN(C2)C4)/C1=O)C
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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 C18H21ClN6O MW 372.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21ClN6O/c1-13-16(17(26)25(21-13)15-4-2-14(19)3-5-15)6-20-18-7-22-10-23(8-18)12-24(9-18)11-22/h2-6,20H,7-12H2,1H3/b16-6-InChIKey
XJYFTOVMTIWDBS-SOFYXZRVSA-NSynonyms
309738-98-5(4Z)2(4chlorophenyl)5methyl4((135triazatricyclo(3311~37~)dec7ylamino)methylidene)24dihydro3Hpyrazol3one
309738985
CC1=NN(C(=O)C1=CNC23CN4CN(C2)CN(C3)C4)C5=CC=C(C=C5)Cl
Clc1ccc(cc1)N1N=C(C(=CNC23CN4CN(C3)CN(C2)C4)C1=O)C
InChI=1SC18H21ClN6Oc11316(17(26)25(2113)154214(19)3515)620187221023(818)1224(918)1122h2620H712H21H3b166
MFCD01178526
ZINC000095108949
ZINC95108949
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