Vitas-M small molecule compound
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Catalog ID
STK307706
SMILES N#Cc1c(NC(=O)c2ccccc2Cn2nc(cc2C)[N+](=O)[O-])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 C22H21N5O3S MW 435.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O3S/c1-13-7-8-17-18(11-23)22(31-19(17)9-13)24-21(28)16-6-4-3-5-15(16)12-26-14(2)10-20(25-26)27(29)30/h3-6,10,13H,7-9,12H2,1-2H3,(H,24,28)InChIKey
LRNGHOJTGPTXSI-UHFFFAOYSA-NSynonyms
1005592-51-71005592517
CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=CC=C3CN4C(=CC(=N4)(N+)(=O)(O))C
InChI=1SC22H21N5O3Sc113781718(1123)22(3119(17)913)2421(28)16643515(16)122614(2)1020(2526)27(29)30h361013H7912H212H3(H2428)
MFCD04131112
N#Cc1c(NC(=O)c2ccccc2Cn2nc(cc2C)(N+)(=O)(O))sc2c1CCC(C2)C
N(3cyano6methyl4567tetrahydro1benzothiophen2yl)2((5methyl3nitro1Hpyrazol1yl)methyl)benzamide
N(3cyano6methyl4567tetrahydro1benzothiophen2yl)2((5methyl3nitropyrazol1yl)methyl)benzamide
ZINC000002794273
ZINC000002794274
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