Vitas-M small molecule compound

2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]-N-(4-nitrophenyl)hydrazinecarbothioamide

Catalog ID
STK302535
SMILES S=C(Nc1ccc(cc1)[N+](=O)[O-])NNC(=O)Cn1nc(cc1C)[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 C13H13N7O5S MW 379.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N7O5S/c1-8-6-11(20(24)25)17-18(8)7-12(21)15-16-13(26)14-9-2-4-10(5-3-9)19(22)23/h2-6H,7H2,1H3,(H,15,21)(H2,14,16,26)
InChIKey
BYUHCIQQUVGNDW-UHFFFAOYSA-N
Synonyms
512826-53-8
1((2(5METHYL3NITRO1PYRAZOLYL)1OXOETHYL)AMINO)3(4NITROPHENYL)THIOUREA
1((2(5METHYL3NITROPYRAZOL1YL)ACETYL)AMINO)3(4NITROPHENYL)THIOUREA
1(2(5METHYL3NITROPYRAZOL1YL)ETHANOYLAMINO)3(4NITROPHENYL)THIOUREA
2((3NITRO5METHYL1HPYRAZOL1YL)ACETYL)N(4NITROPHENYL)HYDRAZINECARBOTHIOAMIDE
2((5methyl3nitro1Hpyrazol1yl)acetyl)N(4nitrophenyl)hydrazinecarbothioamide
512826538
CC1=CC(=NN1CC(=O)NNC(=S)NC2=CC=C(C=C2)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC13H13N7O5Sc18611(20(24)25)1718(8)712(21)151613(26)1492410(539)19(22)23h26H7H21H3(H1521)(H2141626)
MFCD03468820
S=C(Nc1ccc(cc1)(N+)(=O)(O))NNC(=O)Cn1nc(cc1C)(N+)(=O)(O)
ZINC000008666144
ZINC08666144
ZINC8666144

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Available files

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