Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[({[1-(phenylcarbonyl)piperidin-4-yl]methyl}amino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK006230
SMILES O=C1N(N=C(/C/1=C\NCC1CCN(CC1)C(=O)c1ccccc1)c1ccccc1)c1nc2c(s1)cccc2
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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 C30H27N5O2S MW 521.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N5O2S/c36-28(23-11-5-2-6-12-23)34-17-15-21(16-18-34)19-31-20-24-27(22-9-3-1-4-10-22)33-35(29(24)37)30-32-25-13-7-8-14-26(25)38-30/h1-14,20-21,31H,15-19H2/b24-20+InChIKey
PUXFQODMCDTAAW-HIXSDJFHSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4(((1BENZOYLPIPERIDIN4YL)METHYLAMINO)METHYLIDENE)5PHENYLPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)5PHENYL4((((1(PHENYLCARBONYL)PIPERIDIN4YL)METHYL)AMINO)METHYLIDENE)24DIHYDRO3HPYRAZOL3ONE
C1CN(CCC1CNC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C(=O)C6=CC=CC=C6
InChI=1SC30H27N5O2Sc3628(23115261223)34171521(161834)1931202427(2293141022)3335(29(24)37)30322513781426(25)3830h114202131H1519H2b2420+
MFCD01946205
O=C1N(N=C(C1=CNCC1CCN(CC1)C(=O)c1ccccc1)c1ccccc1)c1nc2c(s1)cccc2
STK006230
ZINC000100432856
ZINC100432856
Check stock
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