Vitas-M small molecule compound
methyl 2-{(3E)-2-(4-ethoxyphenyl)-3-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL037668
SMILES CCOc1ccc(cc1)C1N(c2sc(c(n2)C)C(=O)OC)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OC)/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 C27H26N2O7S MW 522.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O7S/c1-6-36-17-9-7-16(8-10-17)21-20(22(30)19-12-11-18(34-4)13-14(19)2)23(31)25(32)29(21)27-28-15(3)24(37-27)26(33)35-5/h7-13,21,30H,6H2,1-5H3/b22-20+InChIKey
DBHZVICHQZXVPF-LSDHQDQOSA-NSynonyms
499208-67-2499208672
CCOC1=CC=C(C=C1)C2C(=C(C3=C(C=C(C=C3)OC)C)O)C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OC)C
CCOc1ccc(cc1)C1N(c2sc(c(n2)C)C(=O)OC)C(=O)C(=O)C1=C(c1ccc(cc1C)OC)O
InChI=1SC27H26N2O7Sc1636179716(81017)2120(22(30)19121118(344)1314(19)2)23(31)25(32)29(21)272815(3)24(3727)26(33)355h7132130H6H215H3b2220+
methyl2((3E)2(4ethoxyphenyl)3(hydroxy(4methoxy2methylphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD03814534
ZINC000102858826
ZINC000102858827
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