Vitas-M small molecule compound
(4E)-5-(3-butoxyphenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL048852
SMILES CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\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 C30H25ClN2O6S MW 577.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25ClN2O6S/c1-2-3-11-37-20-6-4-5-17(14-20)26-25(27(34)18-7-10-22-23(15-18)39-13-12-38-22)28(35)29(36)33(26)30-32-21-9-8-19(31)16-24(21)40-30/h4-10,14-16,26,34H,2-3,11-13H2,1H3/b27-25+InChIKey
GTBDSYMWLLANMR-IMVLJIQESA-NSynonyms
(4E)5(3butoxyphenyl)1(6chloro13benzothiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)pyrrolidine23dione
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)Cl
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)Cl
InChI=1SC30H25ClN2O6Sc12311372064517(1420)2625(27(34)187102223(1518)3913123822)28(35)29(36)33(26)3032219819(31)1624(21)4030h41014162634H231113H21H3b2725+
MFCD05738200
ZINC000102885042
ZINC000102885045
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