Vitas-M small molecule compound
ethyl [(5E)-5-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Catalog ID
STK152414
SMILES CCOC(=O)CN1C(=O)S/C(=C/c2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)/C1=O
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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 C23H23N3O4S2 MW 469.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O4S2/c1-4-30-20(27)12-25-21(28)19(32-23(25)29)10-15-9-13(2)26(14(15)3)22-17(11-24)16-7-5-6-8-18(16)31-22/h9-10H,4-8,12H2,1-3H3/b19-10+InChIKey
YTZTYIPHXMFIGV-VXLYETTFSA-NSynonyms
CCOC(=O)CN1C(=O)C(=CC2=C(N(C(=C2)C)C3=C(C4=C(S3)CCCC4)C#N)C)SC1=O
CCOC(=O)CN1C(=O)SC(=Cc2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)C1=O
ethyl((5E)5((1(3cyano4567tetrahydro1benzothiophen2yl)25dimethyl1Hpyrrol3yl)methylidene)24dioxo13thiazolidin3yl)acetate
ethyl2((5E)5((1(3cyano4567tetrahydro1benzothiophen2yl)25dimethylpyrrol3yl)methylidene)24dioxo13thiazolidin3yl)acetate
InChI=1SC23H23N3O4S2c143020(27)122521(28)19(3223(25)29)1015913(2)26(14(15)3)2217(1124)16756818(16)3122h910H4812H213H3b1910+
MFCD03727541
ZINC000009260806
ZINC09260806
ZINC9260806
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