Vitas-M small molecule compound
methyl 2-[(3E)-2-(4-hydroxyphenyl)-3-{hydroxy[4-(propan-2-yloxy)phenyl]methylidene}-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL048176
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)OC(C)C)/O)/C1c1ccc(cc1)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 C26H24N2O7S MW 508.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O7S/c1-13(2)35-18-11-7-16(8-12-18)21(30)19-20(15-5-9-17(29)10-6-15)28(24(32)22(19)31)26-27-14(3)23(36-26)25(33)34-4/h5-13,20,29-30H,1-4H3/b21-19+InChIKey
BPTFQBUYCFLBLN-XUTLUUPISA-NSynonyms
847182-36-9847182369
CC1=C(SC(=N1)N2C(C(=C(C3=CC=C(C=C3)OC(C)C)O)C(=O)C2=O)C4=CC=C(C=C4)O)C(=O)OC
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(cc2)OC(C)C)O)C1c1ccc(cc1)O
InChI=1SC26H24N2O7Sc113(2)351811716(81218)21(30)1920(155917(29)10615)28(24(32)22(19)31)262714(3)23(3626)25(33)344h513202930H14H3b2119+
methyl2((3E)2(4hydroxyphenyl)3(hydroxy(4(propan2yloxy)phenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((3E)2(4HYDROXYPHENYL)3(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD07197344
ZINC000102883535
ZINC000102883537
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