Vitas-M small molecule compound
4-[2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)ethyl]-N-ethylpiperazine-1-carbothioamide
Catalog ID
STK206716
SMILES CCNC(=S)N1CCN(CC1)CCN/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)C)/C
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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 C22H29N7OS2 MW 471.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N7OS2/c1-4-23-21(31)28-13-11-27(12-14-28)10-9-24-15(2)19-16(3)26-29(20(19)30)22-25-17-7-5-6-8-18(17)32-22/h5-8,24H,4,9-14H2,1-3H3,(H,23,31)/b19-15+InChIKey
FHSDMXBBLVPYOX-XDJHFCHBSA-NSynonyms
1BENZOTHIAZOL2YL4(((2(4((ETHYLAMINO)THIOXOMETHYL)PIPERAZINYL)ETHYL)AMINO)ETHYLIDENE)3METHYL12DIAZOLIN5ONE
4(2(((1E)1(1(13benzothiazol2yl)3methyl5oxo15dihydro4Hpyrazol4ylidene)ethyl)amino)ethyl)Nethylpiperazine1carbothioamide
4(2(((1E)1(1(13BENZOTHIAZOL2YL)3METHYL5OXOPYRAZOL4YLIDENE)ETHYL)AMINO)ETHYL)NETHYLPIPERAZINE1CARBOTHIOAMIDE
CCNC(=S)N1CCN(CC1)CCNC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)C)C
CCNC(=S)N1CCN(CC1)CCNC(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C)C
InChI=1SC22H29N7OS2c142321(31)28131127(121428)1092415(2)1916(3)2629(20(19)30)222517756818(17)3222h5824H4914H213H3(H2331)b1915+
MFCD03759864
ZINC000019899331
ZINC19899331
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