Vitas-M small molecule compound
(4E)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL052538
SMILES CCOc1cc(ccc1OCC)C1N(c2nc3c(s2)cc(cc3)OCC)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/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 C32H30N2O8S MW 602.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O8S/c1-4-38-20-9-10-21-26(17-20)43-32(33-21)34-28(18-7-11-22(39-5-2)24(15-18)40-6-3)27(30(36)31(34)37)29(35)19-8-12-23-25(16-19)42-14-13-41-23/h7-12,15-17,28,35H,4-6,13-14H2,1-3H3/b29-27+InChIKey
IPNLVASIYZKNPW-ORIPQNMZSA-NSynonyms
618857-52-6(4E)5(34diethoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)pyrrolidine23dione
618857526
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=C(C=C6)OCC)OCC
CCOc1cc(ccc1OCC)C1N(c2nc3c(s2)cc(cc3)OCC)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC32H30N2O8Sc1438209102126(1720)4332(3321)3428(1871122(3952)24(1518)4063)27(30(36)31(34)37)29(35)198122325(1619)4214134123h71215172835H461314H213H3b2927+
MFCD05735245
ZINC000102890691
ZINC000102890695
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