Vitas-M small molecule compound
methyl 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
STL049405
SMILES CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC
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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 C29H28N2O8S MW 564.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O8S/c1-4-5-11-37-19-8-6-7-17(14-19)23-22(24(32)18-9-10-20-21(15-18)39-13-12-38-20)25(33)27(34)31(23)29-30-16(2)26(40-29)28(35)36-3/h6-10,14-15,23,32H,4-5,11-13H2,1-3H3/b24-22+InChIKey
YHDCKGDQFYSORQ-ZNTNEXAZSA-NSynonyms
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OC)C
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC
InChI=1SC29H28N2O8Sc14511371986717(1419)2322(24(32)189102021(1518)3913123820)25(33)27(34)31(23)293016(2)26(4029)28(35)363h61014152332H451113H213H3b2422+
methyl2((3E)2(3butoxyphenyl)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD05732001
ZINC000102885875
ZINC000102885878
Check stock
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Check stock on Vitas-MAvailable files
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