Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-({2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl}amino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK074385
SMILES C/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)C)/NCCN1CCN(CC1)C(=O)c1ccccc1
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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 C26H28N6O2S MW 488.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N6O2S/c1-18(23-19(2)29-32(25(23)34)26-28-21-10-6-7-11-22(21)35-26)27-12-13-30-14-16-31(17-15-30)24(33)20-8-4-3-5-9-20/h3-11,27H,12-17H2,1-2H3/b23-18-InChIKey
GRPDVNKGNJYSDS-NKFKGCMQSA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)4(1(2(4BENZOYLPIPERAZIN1YL)ETHYLAMINO)ETHYLIDENE)5METHYLPYRAZOL3ONE
(4Z)2(13BENZOTHIAZOL2YL)5METHYL4(1((2(4(PHENYLCARBONYL)PIPERAZIN1YL)ETHYL)AMINO)ETHYLIDENE)24DIHYDRO3HPYRAZOL3ONE
CC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)C)NCCN1CCN(CC1)C(=O)c1ccccc1
CC1=NN(C(=O)C1=C(C)NCCN2CCN(CC2)C(=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4
InChI=1SC26H28N6O2Sc118(2319(2)2932(25(23)34)26282110671122(21)3526)27121330141631(171530)24(33)208435920h31127H1217H212H3b2318
MFCD03713287
STK074385
ZINC000101152964
ZINC101152964
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