Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Catalog ID
STK307850
SMILES N#Cc1c(NC(=O)c2ccccc2Cn2nc(cc2C)[N+](=O)[O-])sc2c1CCCC2
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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 C21H19N5O3S MW 421.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O3S/c1-13-10-19(26(28)29)24-25(13)12-14-6-2-3-7-15(14)20(27)23-21-17(11-22)16-8-4-5-9-18(16)30-21/h2-3,6-7,10H,4-5,8-9,12H2,1H3,(H,23,27)InChIKey
KABRRIKBOYCVIK-UHFFFAOYSA-NSynonyms
1005682-13-21005682132
CC1=CC(=NN1CC2=CC=CC=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)(N+)(=O)(O)
InChI=1SC21H19N5O3Sc1131019(26(28)29)2425(13)1214623715(14)20(27)232117(1122)16845918(16)3021h236710H458912H21H3(H2327)
MFCD04131303
N#Cc1c(NC(=O)c2ccccc2Cn2nc(cc2C)(N+)(=O)(O))sc2c1CCCC2
N(3cyano4567tetrahydro1benzothiophen2yl)2((5methyl3nitro1Hpyrazol1yl)methyl)benzamide
N(3cyano4567tetrahydro1benzothiophen2yl)2((5methyl3nitropyrazol1yl)methyl)benzamide
ZINC000002794526
ZINC02794526
ZINC2794526
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