Vitas-M small molecule compound

N-benzyl-2-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinecarbothioamide

Catalog ID
STL396956
SMILES O=C(CCn1nc(c(c1C)[N+](=O)[O-])C)NNC(=S)NCc1ccccc1

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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 C16H20N6O3S MW 376.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N6O3S/c1-11-15(22(24)25)12(2)21(20-11)9-8-14(23)18-19-16(26)17-10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,18,23)(H2,17,19,26)
InChIKey
RGYONRJEVWTVBK-UHFFFAOYSA-N
Synonyms
512823-05-1
1BENZYL3(3(35DIMETHYL4NITROPYRAZOL1YL)PROPANOYLAMINO)THIOUREA
512823051
CC1=C(C(=NN1CCC(=O)NNC(=S)NCC2=CC=CC=C2)C)(N+)(=O)(O)
InChI=1SC16H20N6O3Sc11115(22(24)25)12(2)21(2011)9814(23)181916(26)1710136435713h37H810H212H3(H1823)(H2171926)
MFCD03468324
NBENZYL2(3(35DIMETHYL4NITRO1HPYRAZOL1YL)PROPANOYL)HYDRAZINECARBOTHIOAMIDE
NBENZYL2(3(4NITRO35DIMETHYL1HPYRAZOL1YL)PROPANOYL)HYDRAZINECARBOTHIOAMIDE
O=C(CCn1nc(c(c1C)(N+)(=O)(O))C)NNC(=S)NCc1ccccc1
ZINC000002735356
ZINC02735356
ZINC2735356

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Available files

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