Vitas-M small molecule compound

(4E)-4-{2-[2-(morpholin-4-ylcarbonyl)phenyl]hydrazinylidene}-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide

Catalog ID
STK000114
SMILES NC(=S)N1N=C(/C(=N\Nc2ccccc2C(=O)N2CCOCC2)/C1=O)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 C21H19N7O5S MW 481.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N7O5S/c22-21(34)27-20(30)18(17(25-27)13-5-7-14(8-6-13)28(31)32)24-23-16-4-2-1-3-15(16)19(29)26-9-11-33-12-10-26/h1-8,23H,9-12H2,(H2,22,34)/b24-18+
InChIKey
RAEHDEFGSQCMHW-HKOYGPOVSA-N
Synonyms

(4E)4((2(MORPHOLINE4CARBONYL)PHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXOPYRAZOLE1CARBOTHIOAMIDE
(4E)4(2(2(MORPHOLIN4YLCARBONYL)PHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
C1COCCN1C(=O)C2=CC=CC=C2NN=C3C(=NN(C3=O)C(=S)N)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H19N7O5Sc2221(34)2720(30)18(17(2527)135714(8613)28(31)32)242316421315(16)19(29)2691133121026h1823H912H2(H22234)b2418+
MFCD01008384
NC(=S)N1N=C(C(=NNc2ccccc2C(=O)N2CCOCC2)C1=O)c1ccc(cc1)(N+)(=O)(O)
STK000114
ZINC000008935223
ZINC101371640

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Available files

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