Vitas-M small molecule compound
(4Z)-4-{[(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)amino]methylidene}-5-methyl-2-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK394174
SMILES CC1=NN(C(=O)/C/1=C\Nc1c(C)nn(c1C)Cc1ccccc1)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3
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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 C33H37N5O MW 519.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H37N5O/c1-21-30(19-34-31-22(2)35-37(23(31)3)20-24-7-5-4-6-8-24)32(39)38(36-21)29-11-9-28(10-12-29)33-16-25-13-26(17-33)15-27(14-25)18-33/h4-12,19,25-27,34H,13-18,20H2,1-3H3/b30-19-InChIKey
UWTTUBVGRAMJJB-FSGOGVSDSA-NSynonyms
(4Z)2(4(1adamantyl)phenyl)4(((1benzyl35dimethylpyrazol4yl)amino)methylidene)5methylpyrazol3one
(4Z)4(((1benzyl35dimethyl1Hpyrazol4yl)amino)methylidene)5methyl2(4(tricyclo(3311~37~)dec1yl)phenyl)24dihydro3Hpyrazol3one
1(4ADAMANTANYLPHENYL)4(((35DIMETHYL1BENZYLPYRAZOL4YL)AMINO)METHYLENE)3METHYL12DIAZOLIN5ONE
CC1=C(C(=NN1CC2=CC=CC=C2)C)NC=C3C(=NN(C3=O)C4=CC=C(C=C4)C56CC7CC(C5)CC(C7)C6)C
CC1=NN(C(=O)C1=CNc1c(C)nn(c1C)Cc1ccccc1)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3
InChI=1SC33H37N5Oc12130(19343122(2)3537(23(31)3)20247546824)32(39)38(3621)2911928(101229)3316251326(1733)1527(1425)1833h41219252734H131820H213H3b3019
MFCD02603053
ZINC000008721679
ZINC08721679
ZINC8721679
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.