Vitas-M small molecule compound

N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide

Catalog ID
STL398258
SMILES CCN(C(=O)c1sc(c(c1C)C#N)NC(=O)c1n(C)nc(c1[N+](=O)[O-])C)CC

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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 C17H20N6O4S MW 404.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N6O4S/c1-6-22(7-2)17(25)14-9(3)11(8-18)16(28-14)19-15(24)13-12(23(26)27)10(4)20-21(13)5/h6-7H2,1-5H3,(H,19,24)
InChIKey
HLEYXJYEUDVEHP-UHFFFAOYSA-N
Synonyms
1005582-06-8
1005582068
CCN(C(=O)c1sc(c(c1C)C#N)NC(=O)c1n(C)nc(c1(N+)(=O)(O))C)CC
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=C(C(=NN2C)C)(N+)(=O)(O))C#N)C
InChI=1SC17H20N6O4Sc1622(72)17(25)149(3)11(818)16(2814)1915(24)1312(23(26)27)10(4)2021(13)5h67H215H3(H1924)
MFCD04042501
N(3CYANO5(DIETHYLCARBAMOYL)4METHYLTHIOPHEN2YL)13DIMETHYL4NITRO1HPYRAZOLE5CARBOXAMIDE
N(3CYANO5(DIETHYLCARBAMOYL)4METHYLTHIOPHEN2YL)25DIMETHYL4NITROPYRAZOLE3CARBOXAMIDE
ZINC000002782382
ZINC02782382
ZINC2782382

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Available files

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