Vitas-M small molecule compound
4-[2-({(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
Catalog ID
STL070014
SMILES C=CCNC(=S)N1CCN(CC1)CCN/C=C\1/C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])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 C21H27N7O3S MW 457.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N7O3S/c1-3-8-23-21(32)26-13-11-25(12-14-26)10-9-22-15-19-16(2)24-27(20(19)29)17-4-6-18(7-5-17)28(30)31/h3-7,15,22H,1,8-14H2,2H3,(H,23,32)/b19-15-InChIKey
FUDYDJSCZXUGIO-CYVLTUHYSA-NSynonyms
(E)Nallyl4(2(((3methyl1(4nitrophenyl)5oxo1Hpyrazol4(5H)ylidene)methyl)amino)ethyl)piperazine1carbothioamide
4(2(((Z)(3methyl1(4nitrophenyl)5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)ethyl)N(prop2en1yl)piperazine1carbothioamide
4(2(((Z)(3METHYL1(4NITROPHENYL)5OXOPYRAZOL4YLIDENE)METHYL)AMINO)ETHYL)NPROP2ENYLPIPERAZINE1CARBOTHIOAMIDE
C=CCNC(=S)N1CCN(CC1)CCNC=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))C
CC1=NN(C(=O)C1=CNCCN2CCN(CC2)C(=S)NCC=C)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC21H27N7O3Sc1382321(32)26131125(121426)10922151916(2)2427(20(19)29)174618(7517)28(30)31h371522H1814H22H3(H2332)b1915
MFCD18194027
ZINC000102816455
ZINC102816455
Check stock
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