Vitas-M small molecule compound
methyl 2-[(3E)-2-(4-hydroxyphenyl)-3-{hydroxy[4-(prop-2-en-1-yloxy)phenyl]methylidene}-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK597496
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)O)c1nc(c(s1)C(=O)OC)C)/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 C26H22N2O7S MW 506.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O7S/c1-4-13-35-18-11-7-16(8-12-18)21(30)19-20(15-5-9-17(29)10-6-15)28(24(32)22(19)31)26-27-14(2)23(36-26)25(33)34-3/h4-12,20,29-30H,1,13H2,2-3H3/b21-19+InChIKey
PXCAOPWRDMTJRA-XUTLUUPISA-NSynonyms
848742-39-2848742392
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)O)c1nc(c(s1)C(=O)OC)C)O
CC1=C(SC(=N1)N2C(C(=C(C3=CC=C(C=C3)OCC=C)O)C(=O)C2=O)C4=CC=C(C=C4)O)C(=O)OC
InChI=1SC26H22N2O7Sc1413351811716(81218)21(30)1920(155917(29)10615)28(24(32)22(19)31)262714(2)23(3626)25(33)343h412202930H113H223H3b2119+
methyl2((3E)2(4hydroxyphenyl)3(hydroxy(4(prop2en1yloxy)phenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((3E)2(4HYDROXYPHENYL)3(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD07205988
ZINC000101287555
ZINC000101287557
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