Vitas-M small molecule compound
prop-2-en-1-yl 2-{(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL049392
SMILES C=CCOc1cccc(c1)C1N(c2nc(c(s2)C(=O)OCC=C)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O
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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 C30H26N2O8S MW 574.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O8S/c1-4-11-37-20-8-6-7-18(15-20)24-23(25(33)19-9-10-21-22(16-19)39-14-13-38-21)26(34)28(35)32(24)30-31-17(3)27(41-30)29(36)40-12-5-2/h4-10,15-16,24,33H,1-2,11-14H2,3H3/b25-23+InChIKey
RILRDXFUFAQYPQ-WJTDDFOZSA-NSynonyms
C=CCOc1cccc(c1)C1N(c2nc(c(s2)C(=O)OCC=C)C)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
CC1=C(SC(=N1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC(=CC=C5)OCC=C)C(=O)OCC=C
InChI=1SC30H26N2O8Sc1411372086718(1520)2423(25(33)199102122(1619)3914133821)26(34)28(35)32(24)303117(3)27(4130)29(36)401252h41015162433H121114H23H3b2523+
MFCD05732860
prop2en1yl2((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)45dioxo2(3(prop2en1yloxy)phenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
PROP2ENYL2((4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)23DIOXO5(3PROP2ENOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ZINC000101316435
ZINC000101316436
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