Vitas-M small molecule compound
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Catalog ID
STL398945
SMILES N#Cc1c(NC(=O)c2ccccc2Cn2nc(c(c2C)[N+](=O)[O-])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 C23H23N5O3S MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O3S/c1-13-8-9-18-19(11-24)23(32-20(18)10-13)25-22(29)17-7-5-4-6-16(17)12-27-15(3)21(28(30)31)14(2)26-27/h4-7,13H,8-10,12H2,1-3H3,(H,25,29)InChIKey
QGFOIWTVYDINJW-UHFFFAOYSA-NSynonyms
1005592-60-81005592608
CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=CC=C3CN4C(=C(C(=N4)C)(N+)(=O)(O))C
InChI=1SC23H23N5O3Sc113891819(1124)23(3220(18)1013)2522(29)17754616(17)122715(3)21(28(30)31)14(2)2627h4713H81012H213H3(H2529)
MFCD04131158
N#Cc1c(NC(=O)c2ccccc2Cn2nc(c(c2C)(N+)(=O)(O))C)sc2c1CCC(C2)C
N(3cyano6methyl4567tetrahydro1benzothiophen2yl)2((35dimethyl4nitro1Hpyrazol1yl)methyl)benzamide
N(3cyano6methyl4567tetrahydro1benzothiophen2yl)2((35dimethyl4nitropyrazol1yl)methyl)benzamide
ZINC000002794330
ZINC000002794331
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