Vitas-M small molecule compound
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
Catalog ID
STL392144
SMILES N#Cc1c(NC(=O)c2n[nH]cc2[N+](=O)[O-])sc(c1CC)C
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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 C12H11N5O3S MW 305.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N5O3S/c1-3-7-6(2)21-12(8(7)4-13)15-11(18)10-9(17(19)20)5-14-16-10/h5H,3H2,1-2H3,(H,14,16)(H,15,18)InChIKey
BSMFMMYAHMHMDX-UHFFFAOYSA-NSynonyms
1005678-34-11005678341
CCC1=C(SC(=C1C#N)NC(=O)C2=C(C=NN2)(N+)(=O)(O))C
InChI=1SC12H11N5O3Sc1376(2)2112(8(7)413)1511(18)109(17(19)20)5141610h5H3H212H3(H1416)(H1518)
MFCD04052346
N#Cc1c(NC(=O)c2n(nH)cc2(N+)(=O)(O))sc(c1CC)C
N(3cyano4ethyl5methylthiophen2yl)4nitro1Hpyrazole3carboxamide
N(3cyano4ethyl5methylthiophen2yl)4nitro1Hpyrazole5carboxamide
ZINC000006412686
ZINC06412686
ZINC6412686
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