Vitas-M small molecule compound
ethyl 2-{(3E)-3-[(4-butoxy-3-methylphenyl)(hydroxy)methylidene]-4,5-dioxo-2-phenylpyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL052633
SMILES CCCCOc1ccc(cc1C)/C(=C\1/C(c2ccccc2)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OCC)/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 C29H30N2O6S MW 534.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O6S/c1-5-7-15-37-21-14-13-20(16-17(21)3)24(32)22-23(19-11-9-8-10-12-19)31(27(34)25(22)33)29-30-18(4)26(38-29)28(35)36-6-2/h8-14,16,23,32H,5-7,15H2,1-4H3/b24-22+InChIKey
NFAPDPFRHQOYFS-ZNTNEXAZSA-NSynonyms
385386-19-6385386196
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC)C)C4=CC=CC=C4)O)C
CCCCOc1ccc(cc1C)C(=C1C(c2ccccc2)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OCC)O
ethyl2((3E)3((4butoxy3methylphenyl)(hydroxy)methylidene)45dioxo2phenylpyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)23DIOXO5PHENYLPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC29H30N2O6Sc157153721141320(1617(21)3)24(32)2223(191198101219)31(27(34)25(22)33)293018(4)26(3829)28(35)3662h814162332H5715H214H3b2422+
MFCD05735763
ZINC000102890560
ZINC000102890562
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