Vitas-M small molecule compound
(4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-(3-butoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK579603
SMILES CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)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 C29H28N2O7S MW 548.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O7S/c1-4-5-11-36-20-8-6-7-18(14-20)24-23(25(33)19-9-10-21-22(15-19)38-13-12-37-21)26(34)28(35)31(24)29-30-16(2)27(39-29)17(3)32/h6-10,14-15,24,33H,4-5,11-13H2,1-3H3/b25-23+InChIKey
UWEMSYGHMCMYAO-WJTDDFOZSA-NSynonyms
587008-94-4(4E)1(5acetyl4methyl13thiazol2yl)5(3butoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)pyrrolidine23dione
587008944
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)C)C
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C
InChI=1SC29H28N2O7Sc14511362086718(1420)2423(25(33)199102122(1519)3813123721)26(34)28(35)31(24)293016(2)27(3929)17(3)32h61014152433H451113H213H3b2523+
MFCD07201317
ZINC000102586924
ZINC000102586929
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