Vitas-M small molecule compound
ethyl 2-{(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxo-2-[3-(pentyloxy)phenyl]pyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL051512
SMILES CCCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OCC
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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 C31H32N2O8S MW 592.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O8S/c1-4-6-7-13-39-21-10-8-9-19(16-21)25-24(26(34)20-11-12-22-23(17-20)41-15-14-40-22)27(35)29(36)33(25)31-32-18(3)28(42-31)30(37)38-5-2/h8-12,16-17,25,34H,4-7,13-15H2,1-3H3/b26-24+InChIKey
FZEBWGZORDTNHW-SHHOIMCASA-NSynonyms
CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC)C
CCCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OCC
ethyl2((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)45dioxo2(3(pentyloxy)phenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)23DIOXO5(3PENTOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC31H32N2O8Sc1467133921108919(1621)2524(26(34)2011122223(1720)4115144022)27(35)29(36)33(25)313218(3)28(4231)30(37)3852h81216172534H471315H213H3b2624+
MFCD05733199
ZINC000102889175
ZINC000102889177
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