Vitas-M small molecule compound
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Catalog ID
STK302497
SMILES N#Cc1c(NC(=O)c2cccc(c2)Cn2nc(c(c2C)[N+](=O)[O-])C)sc2c1CCCCCCCCCC2
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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 C28H33N5O3S MW 519.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N5O3S/c1-19-26(33(35)36)20(2)32(31-19)18-21-12-11-13-22(16-21)27(34)30-28-24(17-29)23-14-9-7-5-3-4-6-8-10-15-25(23)37-28/h11-13,16H,3-10,14-15,18H2,1-2H3,(H,30,34)InChIKey
RMTROHBWDUGZHE-UHFFFAOYSA-NSynonyms
512825-70-6512825706
CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=C(C4=C(S3)CCCCCCCCCC4)C#N)C)(N+)(=O)(O)
InChI=1SC28H33N5O3Sc11926(33(35)36)20(2)32(3119)182112111322(1621)27(34)302824(1729)23149753468101525(23)3728h111316H310141518H212H3(H3034)
MFCD03468711
N#Cc1c(NC(=O)c2cccc(c2)Cn2nc(c(c2C)(N+)(=O)(O))C)sc2c1CCCCCCCCCC2
N(3cyano45678910111213decahydrocyclododeca(b)thiophen2yl)3((35dimethyl4nitro1Hpyrazol1yl)methyl)benzamide
N(3cyano45678910111213decahydrocyclododeca(b)thiophen2yl)3((35dimethyl4nitropyrazol1yl)methyl)benzamide
ZINC000002735607
ZINC02735607
ZINC2735607
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