Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(piperazin-1-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK262856
SMILES CCCC1=NN(C(=O)/C/1=C(\NCCN1CCNCC1)/C)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 C21H28N6OS MW 412.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N6OS/c1-3-6-17-19(15(2)23-11-14-26-12-9-22-10-13-26)20(28)27(25-17)21-24-16-7-4-5-8-18(16)29-21/h4-5,7-8,22-23H,3,6,9-14H2,1-2H3/b19-15-InChIKey
QAGNNAQBZQGBIV-CYVLTUHYSA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)4(1((2(PIPERAZIN1YL)ETHYL)AMINO)ETHYLIDENE)5PROPYL24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13BENZOTHIAZOL2YL)4(1(2PIPERAZIN1YLETHYLAMINO)ETHYLIDENE)5PROPYLPYRAZOL3ONE
CCCC1=NN(C(=O)C1=C(C)NCCN2CCNCC2)C3=NC4=CC=CC=C4S3
CCCC1=NN(C(=O)C1=C(NCCN1CCNCC1)C)c1nc2c(s1)cccc2
InChI=1SC21H28N6OSc1361719(15(2)2311142612922101326)20(28)27(2517)212416745818(16)2921h45782223H36914H212H3b1915
MFCD08669983
ZINC000022858910
ZINC22858910
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