Vitas-M small molecule compound
N-{[4-(5-{(E)-[(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-2-yl)imino]methyl}furan-2-yl)phenyl]sulfonyl}acetamide
Catalog ID
STL432653
SMILES N#CC1=C(/N=C/c2ccc(o2)c2ccc(cc2)S(=O)(=O)NC(=O)C)SC2C1CCC2
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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 C21H19N3O4S2 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S2/c1-13(25)24-30(26,27)16-8-5-14(6-9-16)19-10-7-15(28-19)12-23-21-18(11-22)17-3-2-4-20(17)29-21/h5-10,12,17,20H,2-4H2,1H3,(H,24,25)/b23-12+InChIKey
QTLVWIAGRNFEEE-FSJBWODESA-NSynonyms
CC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NC3=C(C4CCCC4S3)C#N
InChI=1SC21H19N3O4S2c113(25)2430(2627)168514(6916)1910715(2819)12232118(1122)1732420(17)2921h510121720H24H21H3(H2425)b2312+
MFCD04085185
N#CC1=C(N=Cc2ccc(o2)c2ccc(cc2)S(=O)(=O)NC(=O)C)SC2C1CCC2
N((4(5((E)((3cyano4566atetrahydro3aHcyclopenta(b)thiophen2yl)imino)methyl)furan2yl)phenyl)sulfonyl)acetamide
N(4(5((E)(3cyano4566atetrahydro3aHcyclopenta(b)thiophen2yl)iminomethyl)furan2yl)phenyl)sulfonylacetamide
ZINC000016321120
ZINC000016321126
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