Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK164783
SMILES C/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)/NCCc1c[nH]cn1
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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 C23H20N6OS MW 428.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N6OS/c1-15(25-12-11-17-13-24-14-26-17)20-21(16-7-3-2-4-8-16)28-29(22(20)30)23-27-18-9-5-6-10-19(18)31-23/h2-10,13-14,25H,11-12H2,1H3,(H,24,26)/b20-15+InChIKey
BQFPVIRGCMWTSG-HMMYKYKNSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4(1((2(1HIMIDAZOL4YL)ETHYL)AMINO)ETHYLIDENE)5PHENYL24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)4(1(2(1HIMIDAZOL5YL)ETHYLAMINO)ETHYLIDENE)5PHENYLPYRAZOL3ONE
1BENZOTHIAZOL2YL4(((2IMIDAZOL4YLETHYL)AMINO)ETHYLIDENE)3PHENYL12DIAZOLIN5ONE
CC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)NCCc1c(nH)cn1
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)NCCC5=CN=CN5
InChI=1SC23H20N6OSc115(251211171324142617)2021(167324816)2829(22(20)30)2327189561019(18)3123h210131425H1112H21H3(H2426)b2015+
MFCD05022525
ZINC000008695080
ZINC8695080
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