Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-{1-[(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]ethylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK231925
SMILES C/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)C)/NCCSCc1nc[nH]c1C
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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 C20H22N6OS2 MW 426.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6OS2/c1-12-16(23-11-22-12)10-28-9-8-21-13(2)18-14(3)25-26(19(18)27)20-24-15-6-4-5-7-17(15)29-20/h4-7,11,21H,8-10H2,1-3H3,(H,22,23)/b18-13-InChIKey
YCPSMUJBHAMYGV-AQTBWJFISA-NSynonyms
(4Z)2(13benzothiazol2yl)5methyl4(1((2(((5methyl1Himidazol4yl)methyl)sulfanyl)ethyl)amino)ethylidene)24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)5METHYL4(1(2((5METHYL1HIMIDAZOL4YL)METHYLSULFANYL)ETHYLAMINO)ETHYLIDENE)PYRAZOL3ONE
(Z)1(benzo(d)thiazol2yl)3methyl4(1((2(((5methyl1Himidazol4yl)methyl)thio)ethyl)amino)ethylidene)1Hpyrazol5(4H)one
1BENZOTHIAZOL2YL3METHYL4(((2((5METHYLIMIDAZOL4YL)METHYLTHIO)ETHYL)AMINO)ETHYLIDENE)12DIAZOLIN5ONE
CC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)C)NCCSCc1nc(nH)c1C
CC1=C(N=CN1)CSCCNC(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C)C
InChI=1SC20H22N6OS2c11216(23112212)1028982113(2)1814(3)2526(19(18)27)202415645717(15)2920h471121H810H213H3(H2223)b1813
MFCD07792711
ZINC000100650900
ZINC09059951
ZINC100650900
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.