Vitas-M small molecule compound
(4Z)-4-[2-(4-bromophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK087697
SMILES Brc1ccc(cc1)N/N=C\1/C(=NN(C1=O)C(=S)N)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 C16H11BrN6O3S MW 447.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11BrN6O3S/c17-10-3-5-11(6-4-10)19-20-14-13(21-22(15(14)24)16(18)27)9-1-7-12(8-2-9)23(25)26/h1-8,19H,(H2,18,27)/b20-14-InChIKey
SOHNMPDKOROAQA-ZHZULCJRSA-NSynonyms
(4Z)4((4BROMOPHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXOPYRAZOLE1CARBOTHIOAMIDE
(4Z)4(2(4BROMOPHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
Brc1ccc(cc1)NN=C1C(=NN(C1=O)C(=S)N)c1ccc(cc1)(N+)(=O)(O)
C1=CC(=CC=C1C2=NN(C(=O)C2=NNC3=CC=C(C=C3)Br)C(=S)N)(N+)(=O)(O)
InChI=1SC16H11BrN6O3Sc17103511(6410)19201413(2122(15(14)24)16(18)27)91712(829)23(25)26h1819H(H21827)b2014
MFCD01418633
STK087697
ZINC000013573790
ZINC100530599
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