Vitas-M small molecule compound
ethyl 2-[(3E)-3-[hydroxy(4-propoxyphenyl)methylidene]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL050227
SMILES CCCOc1ccc(cc1)/C(=C\1/C(c2cccnc2)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 C26H25N3O6S MW 507.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O6S/c1-4-13-35-18-10-8-16(9-11-18)21(30)19-20(17-7-6-12-27-14-17)29(24(32)22(19)31)26-28-15(3)23(36-26)25(33)34-5-2/h6-12,14,20,30H,4-5,13H2,1-3H3/b21-19+InChIKey
XLKWZAIXNXQYFN-XUTLUUPISA-NSynonyms
848765-13-9848765139
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC)C)C4=CN=CC=C4)O
CCCOc1ccc(cc1)C(=C1C(c2cccnc2)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OCC)O
ethyl2((3E)3(hydroxy(4propoxyphenyl)methylidene)45dioxo2(pyridin3yl)pyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((4E)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)23DIOXO5PYRIDIN3YLPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC26H25N3O6Sc1413351810816(91118)21(30)1920(177612271417)29(24(32)22(19)31)262815(3)23(3626)25(33)3452h612142030H4513H213H3b2119+
MFCD05733367
ZINC000102886334
ZINC000102886336
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