Vitas-M small molecule compound
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
Catalog ID
STK964707
SMILES N#Cc1c(NC(=O)c2nn(c(c2[N+](=O)[O-])C)C)sc2c1CCC(C2)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 C16H17N5O3S MW 359.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O3S/c1-8-4-5-10-11(7-17)16(25-12(10)6-8)18-15(22)13-14(21(23)24)9(2)20(3)19-13/h8H,4-6H2,1-3H3,(H,18,22)InChIKey
XOFUZPWNRGSEFK-UHFFFAOYSA-NSynonyms
1005694-41-61005694416
CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=NN(C(=C3(N+)(=O)(O))C)C
InChI=1SC16H17N5O3Sc18451011(717)16(2512(10)68)1815(22)1314(21(23)24)9(2)20(3)1913h8H46H213H3(H1822)
MFCD04043947
N#Cc1c(NC(=O)c2nn(c(c2(N+)(=O)(O))C)C)sc2c1CCC(C2)C
N(3cyano6methyl4567tetrahydro1benzothiophen2yl)15dimethyl4nitro1Hpyrazole3carboxamide
N(3cyano6methyl4567tetrahydro1benzothiophen2yl)15dimethyl4nitropyrazole3carboxamide
ZINC000002782495
ZINC000002782496
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