Vitas-M small molecule compound
(4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]-5-(3-methoxy-4-propoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL041588
SMILES CCCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)OC)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)CC
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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 C31H30N2O6S MW 558.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O6S/c1-5-15-39-23-14-10-20(17-24(23)38-4)27-26(28(34)19-8-11-21(37-3)12-9-19)29(35)30(36)33(27)31-32-22-13-7-18(6-2)16-25(22)40-31/h7-14,16-17,27,34H,5-6,15H2,1-4H3/b28-26+InChIKey
SSGCWRQENYDSHZ-BYCLXTJYSA-NSynonyms
(4E)1(6ethyl13benzothiazol2yl)4(hydroxy(4methoxyphenyl)methylidene)5(3methoxy4propoxyphenyl)pyrrolidine23dione
CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC)O)C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)CC)OC
CCCOc1ccc(cc1OC)C1C(=C(c2ccc(cc2)OC)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)CC
InChI=1SC31H30N2O6Sc15153923141020(1724(23)384)2726(28(34)1981121(373)12919)29(35)30(36)33(27)31322213718(62)1625(22)4031h71416172734H5615H214H3b2826+
MFCD05725443
ZINC000102867982
ZINC000102867984
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