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-[4-(propan-2-yl)phenyl]pyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL051140
SMILES C=CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)C(C)C)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=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 C30H28N2O7S MW 560.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O7S/c1-5-12-39-29(36)27-17(4)31-30(40-27)32-24(19-8-6-18(7-9-19)16(2)3)23(26(34)28(32)35)25(33)20-10-11-21-22(15-20)38-14-13-37-21/h5-11,15-16,24,33H,1,12-14H2,2-4H3/b25-23+InChIKey
UAGWFEVOYNZJES-WJTDDFOZSA-NSynonyms
C=CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)C(C)C)C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
CC1=C(SC(=N1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC=C(C=C5)C(C)C)C(=O)OCC=C
InChI=1SC30H28N2O7Sc15123929(36)2717(4)3130(4027)3224(198618(7919)16(2)3)23(26(34)28(32)35)25(33)2010112122(1520)3814133721h51115162433H11214H224H3b2523+
MFCD05738535
prop2en1yl2((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)45dioxo2(4(propan2yl)phenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
PROP2ENYL2((4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)23DIOXO5(4PROPAN2YLPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ZINC000101277738
ZINC000101277740
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.