Vitas-M small molecule compound
2-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK163042
SMILES N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\C(=O)c2c(C1=O)cccc2
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H20N2O2S MW 412.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O2S/c1-14-11-16(12-20-23(28)18-8-3-4-9-19(18)24(20)29)15(2)27(14)25-21(13-26)17-7-5-6-10-22(17)30-25/h3-4,8-9,11-12H,5-7,10H2,1-2H3InChIKey
NLURCGSPXUXRBD-UHFFFAOYSA-NSynonyms
2(3((13dioxo13dihydro2Hinden2ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((13dioxoinden2ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=C4C(=O)C5=CC=CC=C5C4=O
InChI=1SC25H20N2O2Sc1141116(122023(28)18834919(18)24(20)29)15(2)27(14)2521(1326)177561022(17)3025h34891112H5710H212H3
MFCD02954378
N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)c2c(C1=O)cccc2
ZINC000000631664
ZINC00631664
ZINC631664
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