Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
Catalog ID
STK950234
SMILES COc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)C(=O)Nc1sc2c(c1C#N)CCCC2
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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 C21H17N3O5S MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5S/c1-28-12-6-7-14(16(10-12)24(26)27)17-8-9-18(29-17)20(25)23-21-15(11-22)13-4-2-3-5-19(13)30-21/h6-10H,2-5H2,1H3,(H,23,25)InChIKey
NNESKMFEAAOCOF-UHFFFAOYSA-NSynonyms
COC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))c1ccc(o1)C(=O)Nc1sc2c(c1C#N)CCCC2
InChI=1SC21H17N3O5Sc128126714(16(1012)24(26)27)178918(2917)20(25)232115(1122)13423519(13)3021h610H25H21H3(H2325)
MFCD07802686
N(3cyano4567tetrahydro1benzothiophen2yl)5(4methoxy2nitrophenyl)furan2carboxamide
ZINC000008819036
ZINC08819036
ZINC8819036
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