Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Catalog ID
STK307882
SMILES N#Cc1c(NC(=O)c2ccccc2Cn2nc(c(c2C)[N+](=O)[O-])C)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 C22H21N5O3S MW 435.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O3S/c1-13-20(27(29)30)14(2)26(25-13)12-15-7-3-4-8-16(15)21(28)24-22-18(11-23)17-9-5-6-10-19(17)31-22/h3-4,7-8H,5-6,9-10,12H2,1-2H3,(H,24,28)InChIKey
FOSYKIZQOGECDF-UHFFFAOYSA-NSynonyms
1005566-39-11005566391
CC1=C(C(=NN1CC2=CC=CC=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C)(N+)(=O)(O)
InChI=1SC22H21N5O3Sc11320(27(29)30)14(2)26(2513)1215734816(15)21(28)242218(1123)179561019(17)3122h3478H5691012H212H3(H2428)
MFCD04131353
N#Cc1c(NC(=O)c2ccccc2Cn2nc(c(c2C)(N+)(=O)(O))C)sc2c1CCCC2
N(3cyano4567tetrahydro1benzothiophen2yl)2((35dimethyl4nitro1Hpyrazol1yl)methyl)benzamide
N(3cyano4567tetrahydro1benzothiophen2yl)2((35dimethyl4nitropyrazol1yl)methyl)benzamide
ZINC000002794583
ZINC02794583
ZINC2794583
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