Vitas-M small molecule compound
N-ethyl-4-[2-({(Z)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
Catalog ID
STL070015
SMILES CCCC1=NN(C(=O)/C/1=C\NCCN1CCN(CC1)C(=S)NCC)c1ccc(cc1)[N+](=O)[O-]
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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 C22H31N7O3S MW 473.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N7O3S/c1-3-5-20-19(21(30)28(25-20)17-6-8-18(9-7-17)29(31)32)16-23-10-11-26-12-14-27(15-13-26)22(33)24-4-2/h6-9,16,23H,3-5,10-15H2,1-2H3,(H,24,33)/b19-16-InChIKey
NANAAWVYGZFVNR-MNDPQUGUSA-NSynonyms
(E)Nethyl4(2(((1(4nitrophenyl)5oxo3propyl1Hpyrazol4(5H)ylidene)methyl)amino)ethyl)piperazine1carbothioamide
CCCC1=NN(C(=O)C1=CNCCN1CCN(CC1)C(=S)NCC)c1ccc(cc1)(N+)(=O)(O)
CCCC1=NN(C(=O)C1=CNCCN2CCN(CC2)C(=S)NCC)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC22H31N7O3Sc1352019(21(30)28(2520)176818(9717)29(31)32)1623101126121427(151326)22(33)2442h691623H351015H212H3(H2433)b1916
MFCD02139777
Nethyl4(2(((Z)(1(4nitrophenyl)5oxo3propyl15dihydro4Hpyrazol4ylidene)methyl)amino)ethyl)piperazine1carbothioamide
NETHYL4(2(((Z)(1(4NITROPHENYL)5OXO3PROPYLPYRAZOL4YLIDENE)METHYL)AMINO)ETHYL)PIPERAZINE1CARBOTHIOAMIDE
ZINC000019706939
ZINC19706939
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