Vitas-M small molecule compound
(4E)-5-(4-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
STK568346
SMILES CCCCOc1ccc(cc1)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/c1-4-5-14-38-23-10-7-20(8-11-23)28-27(29(35)21-9-13-25-22(17-21)16-19(3)39-25)30(36)31(37)34(28)32-33-24-12-6-18(2)15-26(24)40-32/h6-13,15,17,19,28,35H,4-5,14,16H2,1-3H3/b29-27+InChIKey
LNHZPCFIJGPVSW-ORIPQNMZSA-NSynonyms
893699-37-1(4E)5(4butoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)pyrrolidine23dione
893699371
CCCCOC1=CC=C(C=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
CCCCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
InChI=1SC32H30N2O5Sc14514382310720(81123)2827(29(35)219132522(1721)1619(3)3925)30(36)31(37)34(28)32332412618(2)1526(24)4032h6131517192835H451416H213H3b2927+
MFCD05730930
ZINC000102551881
ZINC000102653072
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