Vitas-M small molecule compound
4-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid
Catalog ID
STK037841
SMILES OC(=O)c1ccc(cc1)N/N=C/1\C(=O)N(N=C1c1ccc(cc1)[N+](=O)[O-])C(=S)N
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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 C17H12N6O5S MW 412.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N6O5S/c18-17(29)22-15(24)14(20-19-11-5-1-10(2-6-11)16(25)26)13(21-22)9-3-7-12(8-4-9)23(27)28/h1-8,19H,(H2,18,29)(H,25,26)/b20-14-InChIKey
HRTOMKVDBVBEIR-ZHZULCJRSA-NSynonyms
(E)4(2(1carbamothioyl3(4nitrophenyl)5oxo1Hpyrazol4(5H)ylidene)hydrazinyl)benzoicacid
4((2Z)2(1CARBAMOTHIOYL3(4NITROPHENYL)5OXO15DIHYDRO4HPYRAZOL4YLIDENE)HYDRAZINYL)BENZOICACID
4((2Z)2(1CARBAMOTHIOYL3(4NITROPHENYL)5OXOPYRAZOL4YLIDENE)HYDRAZINYL)BENZOICACID
C1=CC(=CC=C1C2=NN(C(=O)C2=NNC3=CC=C(C=C3)C(=O)O)C(=S)N)(N+)(=O)(O)
InChI=1SC17H12N6O5Sc1817(29)2215(24)14(2019115110(2611)16(25)26)13(2122)93712(849)23(27)28h1819H(H21829)(H2526)b2014
MFCD01418646
OC(=O)c1ccc(cc1)NN=C1C(=O)N(N=C1c1ccc(cc1)(N+)(=O)(O))C(=S)N
STK037841
ZINC000012275780
ZINC100005568
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