Vitas-M small molecule compound
(4E)-5-(3-butoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK570401
SMILES CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)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 C32H30N2O5S MW 554.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O5S/c1-4-5-13-38-23-8-6-7-20(17-23)28-27(29(35)21-10-12-25-22(16-21)15-19(3)39-25)30(36)31(37)34(28)32-33-24-11-9-18(2)14-26(24)40-32/h6-12,14,16-17,19,28,35H,4-5,13,15H2,1-3H3/b29-27+InChIKey
HEBCWFCQRZLVNH-ORIPQNMZSA-NSynonyms
893699-61-1(4E)5(3butoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)pyrrolidine23dione
893699611
CCCCOC1=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)C
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
InChI=1SC32H30N2O5Sc14513382386720(1723)2827(29(35)2110122522(1621)1519(3)3925)30(36)31(37)34(28)32332411918(2)1426(24)4032h612141617192835H451315H213H3b2927+
MFCD05730380
ZINC000102562195
ZINC000102655459
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