Vitas-M small molecule compound
(4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL041692
SMILES CCCOc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)OCC)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/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 C32H30N2O6S MW 570.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O6S/c1-4-13-39-22-8-6-7-19(16-22)28-27(29(35)20-9-12-25-21(15-20)14-18(3)40-25)30(36)31(37)34(28)32-33-24-11-10-23(38-5-2)17-26(24)41-32/h6-12,15-18,28,35H,4-5,13-14H2,1-3H3/b29-27+InChIKey
VUGMDOQBIHBHKQ-ORIPQNMZSA-NSynonyms
893698-73-2(4E)1(6ethoxy13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3propoxyphenyl)pyrrolidine23dione
893698732
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)OCC
CCCOc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)OCC)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC32H30N2O6Sc1413392286719(1622)2827(29(35)209122521(1520)1418(3)4025)30(36)31(37)34(28)323324111023(3852)1726(24)4132h61215182835H451314H213H3b2927+
MFCD05735699
ZINC000102869014
ZINC000102869020
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