Vitas-M small molecule compound
2-(3-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Catalog ID
STK195844
SMILES COC(=O)CN1C(=O)S/C(=C/c2cc(n(c2C)c2sc3c(c2C(=O)O)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 C22H22N2O6S2 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6S2/c1-11-8-13(9-16-19(26)23(22(29)32-16)10-17(25)30-3)12(2)24(11)20-18(21(27)28)14-6-4-5-7-15(14)31-20/h8-9H,4-7,10H2,1-3H3,(H,27,28)/b16-9+InChIKey
OYHUOZDJIOSKGQ-CXUHLZMHSA-NSynonyms
2(3((E)(3(2methoxy2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylicacid
2(3((E)(3(2methoxy2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carboxylicacid
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)O)C)C=C4C(=O)N(C(=O)S4)CC(=O)OC
COC(=O)CN1C(=O)SC(=Cc2cc(n(c2C)c2sc3c(c2C(=O)O)CCCC3)C)C1=O
InChI=1SC22H22N2O6S2c111813(91619(26)23(22(29)3216)1017(25)303)12(2)24(11)2018(21(27)28)14645715(14)3120h89H4710H213H3(H2728)b169+
MFCD06665856
ZINC000009933825
ZINC9933825
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