Vitas-M small molecule compound
(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL051517
SMILES COc1cc(cc(c1OC)OC)C1N(c2nc3c(s2)cc(cc3)F)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 C30H25FN2O7S MW 576.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25FN2O7S/c1-14-9-16-10-15(5-8-20(16)40-14)26(34)24-25(17-11-21(37-2)28(39-4)22(12-17)38-3)33(29(36)27(24)35)30-32-19-7-6-18(31)13-23(19)41-30/h5-8,10-14,25,34H,9H2,1-4H3/b26-24+InChIKey
RCMYYDQKANRILW-SHHOIMCASA-NSynonyms
862199-35-7(4E)1(6fluoro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(345trimethoxyphenyl)pyrrolidine23dione
862199357
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)F)C6=CC(=C(C(=C6)OC)OC)OC)O
COc1cc(cc(c1OC)OC)C1N(c2nc3c(s2)cc(cc3)F)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC30H25FN2O7Sc1149161015(5820(16)4014)26(34)2425(171121(372)28(394)22(1217)383)33(29(36)27(24)35)3032197618(31)1323(19)4130h5810142534H9H214H3b2624+
MFCD05736069
ZINC000102889306
ZINC000102889310
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