Vitas-M small molecule compound
(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-5-(4-ethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL055506
SMILES CCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)Cl
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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 C29H23ClN2O5S MW 547.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClN2O5S/c1-3-36-20-8-4-16(5-9-20)25-24(26(33)17-6-11-22-18(13-17)12-15(2)37-22)27(34)28(35)32(25)29-31-21-10-7-19(30)14-23(21)38-29/h4-11,13-15,25,33H,3,12H2,1-2H3/b26-24+InChIKey
LFAKLNLXGLNMGT-SHHOIMCASA-NSynonyms
862489-14-3(4E)1(6chloro13benzothiazol2yl)5(4ethoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
862489143
CCOC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)Cl
CCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)Cl
InChI=1SC29H23ClN2O5Sc1336208416(5920)2524(26(33)176112218(1317)1215(2)3722)27(34)28(35)32(25)29312110719(30)1423(21)3829h41113152533H312H212H3b2624+
MFCD05731508
ZINC000102894677
ZINC000102894685
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