Vitas-M small molecule compound
methyl 2-[(3E)-3-{hydroxy[4-(2-methylpropoxy)phenyl]methylidene}-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL049012
SMILES COC(=O)c1sc(nc1C)N1C(c2cccnc2)/C(=C(/c2ccc(cc2)OCC(C)C)\O)/C(=O)C1=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/c1-14(2)13-35-18-9-7-16(8-10-18)21(30)19-20(17-6-5-11-27-12-17)29(24(32)22(19)31)26-28-15(3)23(36-26)25(33)34-4/h5-12,14,20,30H,13H2,1-4H3/b21-19+InChIKey
BXSVJSUSWJZIQS-XUTLUUPISA-NSynonyms
844650-54-0844650540
CC1=C(SC(=N1)N2C(C(=C(C3=CC=C(C=C3)OCC(C)C)O)C(=O)C2=O)C4=CN=CC=C4)C(=O)OC
COC(=O)c1sc(nc1C)N1C(c2cccnc2)C(=C(c2ccc(cc2)OCC(C)C)O)C(=O)C1=O
InChI=1SC26H25N3O6Sc114(2)1335189716(81018)21(30)1920(176511271217)29(24(32)22(19)31)262815(3)23(3626)25(33)344h512142030H13H214H3b2119+
methyl2((3E)3(hydroxy(4(2methylpropoxy)phenyl)methylidene)45dioxo2(pyridin3yl)pyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((4E)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)23DIOXO5PYRIDIN3YLPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD07202155
ZINC000102884965
ZINC000102884967
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