Vitas-M small molecule compound
methyl 2-{(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-[3-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL057235
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cccc(c1)OCCC(C)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 C30H30N2O8S MW 578.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O8S/c1-16(2)10-11-38-20-7-5-6-18(14-20)24-23(25(33)19-8-9-21-22(15-19)40-13-12-39-21)26(34)28(35)32(24)30-31-17(3)27(41-30)29(36)37-4/h5-9,14-16,24,33H,10-13H2,1-4H3/b25-23+InChIKey
JOTNUOQTBSJQTD-WJTDDFOZSA-NSynonyms
CC1=C(SC(=N1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC(=CC=C5)OCCC(C)C)C(=O)OC
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1cccc(c1)OCCC(C)C
InChI=1SC30H30N2O8Sc116(2)1011382075618(1420)2423(25(33)19892122(1519)4013123921)26(34)28(35)32(24)303117(3)27(4130)29(36)374h5914162433H1013H214H3b2523+
methyl2((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)2(3(3methylbutoxy)phenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD05734747
ZINC000102897273
ZINC000102897277
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