Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-propoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL048715
SMILES CCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
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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 C33H32N2O7S MW 600.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N2O7S/c1-5-11-40-22-9-7-20(16-24(22)39-6-2)29-27(30(36)21-8-10-23-25(17-21)42-13-12-41-23)31(37)32(38)35(29)33-34-28-19(4)14-18(3)15-26(28)43-33/h7-10,14-17,29,36H,5-6,11-13H2,1-4H3/b30-27+InChIKey
OTXXBHSWGZPQHC-KDJFERLWSA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)5(3ethoxy4propoxyphenyl)pyrrolidine23dione
CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(C=C(C=C6S5)C)C)OCC
CCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC33H32N2O7Sc151140229720(1624(22)3962)2927(30(36)218102325(1721)4213124123)31(37)32(38)35(29)33342819(4)1418(3)1526(28)4333h71014172936H561113H214H3b3027+
MFCD05737645
ZINC000102884397
ZINC000102884399
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