Vitas-M small molecule compound
4-{(E)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-methyl-1-benzofuran-2-carboxylate
Catalog ID
STK574175
SMILES S=C1S/C(=C/c2ccc(cc2)OC(=O)c2oc3c(c2C)cccc3)/C(=O)N1CC1CCCO1
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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 C25H21NO5S2 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21NO5S2/c1-15-19-6-2-3-7-20(19)31-22(15)24(28)30-17-10-8-16(9-11-17)13-21-23(27)26(25(32)33-21)14-18-5-4-12-29-18/h2-3,6-11,13,18H,4-5,12,14H2,1H3/b21-13+InChIKey
RMSVAQYSSYMHRL-FYJGNVAPSA-NSynonyms
380874-25-9(4((E)(4oxo3(oxolan2ylmethyl)2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)3methyl1benzofuran2carboxylate
(E)4((4oxo3((tetrahydrofuran2yl)methyl)2thioxothiazolidin5ylidene)methyl)phenyl3methylbenzofuran2carboxylate
380874259
4((E)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)phenyl3methyl1benzofuran2carboxylate
CC1=C(OC2=CC=CC=C12)C(=O)OC3=CC=C(C=C3)C=C4C(=O)N(C(=S)S4)CC5CCCO5
InChI=1SC25H21NO5S2c11519623720(19)3122(15)24(28)301710816(91117)132123(27)26(25(32)3321)141854122918h236111318H451214H21H3b2113+
MFCD02991913
ZINC000002329689
ZINC000013540337
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