Vitas-M small molecule compound
ethyl 2-{(3E)-2-(3-butoxyphenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL053010
SMILES CCCCOc1cccc(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 C30H30N2O8S MW 578.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O8S/c1-4-6-12-38-20-9-7-8-18(15-20)24-23(25(33)19-10-11-21-22(16-19)40-14-13-39-21)26(34)28(35)32(24)30-31-17(3)27(41-30)29(36)37-5-2/h7-11,15-16,24,33H,4-6,12-14H2,1-3H3/b25-23+InChIKey
XXAALVHKIUZJNO-WJTDDFOZSA-NSynonyms
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC)C
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OCC
ethyl2((3E)2(3butoxyphenyl)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC30H30N2O8Sc14612382097818(1520)2423(25(33)1910112122(1619)4014133921)26(34)28(35)32(24)303117(3)27(4130)29(36)3752h71115162433H461214H213H3b2523+
MFCD05730900
ZINC000102890898
ZINC000102890902
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