Vitas-M small molecule compound

1-ethyl-N-[(4-nitrophenyl)carbamothioyl]-1H-pyrazole-4-carboxamide

Catalog ID
STK317629
SMILES CCn1ncc(c1)C(=O)NC(=S)Nc1ccc(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 C13H13N5O3S MW 319.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N5O3S/c1-2-17-8-9(7-14-17)12(19)16-13(22)15-10-3-5-11(6-4-10)18(20)21/h3-8H,2H2,1H3,(H2,15,16,19,22)
InChIKey
JUSXJYMXSDCLLM-UHFFFAOYSA-N
Synonyms
496834-39-0
1ethylN((4nitrophenyl)carbamothioyl)1Hpyrazole4carboxamide
1ETHYLN((4NITROPHENYL)CARBAMOTHIOYL)PYRAZOLE4CARBOXAMIDE
496834390
CCN1C=C(C=N1)C(=O)NC(=S)NC2=CC=C(C=C2)(N+)(=O)(O)
CCn1ncc(c1)C(=O)NC(=S)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC13H13N5O3Sc121789(71417)12(19)1613(22)15103511(6410)18(20)21h38H2H21H3(H215161922)
MFCD02374056
N((1ETHYL1HPYRAZOL4YL)CARBONYL)N(4NITROPHENYL)THIOUREA
ZINC000005585616
ZINC05585616
ZINC5585616

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Available files

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