Vitas-M small molecule compound

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

Catalog ID
STL396986
SMILES O=C(CCn1nc(c(c1C)[N+](=O)[O-])C)NNC(=S)Nc1ccc(c(c1)Cl)F

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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 C15H16ClFN6O3S MW 414.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16ClFN6O3S/c1-8-14(23(25)26)9(2)22(21-8)6-5-13(24)19-20-15(27)18-10-3-4-12(17)11(16)7-10/h3-4,7H,5-6H2,1-2H3,(H,19,24)(H2,18,20,27)
InChIKey
KKMRZWFPLZLLGR-UHFFFAOYSA-N
Synonyms
512825-34-2
1(3CHLORO4FLUOROPHENYL)3(3(35DIMETHYL4NITROPYRAZOL1YL)PROPANOYLAMINO)THIOUREA
512825342
CC1=C(C(=NN1CCC(=O)NNC(=S)NC2=CC(=C(C=C2)F)Cl)C)(N+)(=O)(O)
InChI=1SC15H16ClFN6O3Sc1814(23(25)26)9(2)22(218)6513(24)192015(27)18103412(17)11(16)710h347H56H212H3(H1924)(H2182027)
MFCD03468662
N(3CHLORO4FLUOROPHENYL)2(3(35DIMETHYL4NITRO1HPYRAZOL1YL)PROPANOYL)HYDRAZINECARBOTHIOAMIDE
N(3CHLORO4FLUOROPHENYL)2(3(4NITRO35DIMETHYL1HPYRAZOL1YL)PROPANOYL)HYDRAZINECARBOTHIOAMIDE
O=C(CCn1nc(c(c1C)(N+)(=O)(O))C)NNC(=S)Nc1ccc(c(c1)Cl)F
ZINC000000653372
ZINC00653372
ZINC653372

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Available files

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