Vitas-M small molecule compound
(5E)-5-{4-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-3-methoxybenzylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL367895
SMILES COc1cc(ccc1OCc1cc2OCOc2cc1Cl)/C=C\1/SC(=S)N(C1=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 C20H16ClNO5S2 MW 449.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClNO5S2/c1-22-19(23)18(29-20(22)28)6-11-3-4-14(15(5-11)24-2)25-9-12-7-16-17(8-13(12)21)27-10-26-16/h3-8H,9-10H2,1-2H3/b18-6+InChIKey
OBGGDGFEHVFKIR-NGYBGAFCSA-NSynonyms
(5E)5((4((6chloro13benzodioxol5yl)methoxy)3methoxyphenyl)methylidene)3methyl2sulfanylidene13thiazolidin4one
(5E)5(4((6chloro13benzodioxol5yl)methoxy)3methoxybenzylidene)3methyl2thioxo13thiazolidin4one
CN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC4=C(C=C3Cl)OCO4)OC)SC1=S
COc1cc(ccc1OCc1cc2OCOc2cc1Cl)C=C1SC(=S)N(C1=O)C
InChI=1SC20H16ClNO5S2c12219(23)18(2920(22)28)6113414(15(511)242)2591271617(813(12)21)27102616h38H910H212H3b186+
MFCD28951973
ZINC000098086388
ZINC98086388
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