Vitas-M small molecule compound
4-({4-[(E)-{4,6-dioxo-1-[4-(propan-2-yl)phenyl]-2-thioxotetrahydropyrimidin-5(2H)-ylidene}methyl]-2-methoxyphenoxy}methyl)benzoic acid
Catalog ID
STK191823
SMILES COc1cc(ccc1OCc1ccc(cc1)C(=O)O)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)C(C)C
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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 C29H26N2O6S MW 530.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O6S/c1-17(2)20-9-11-22(12-10-20)31-27(33)23(26(32)30-29(31)38)14-19-6-13-24(25(15-19)36-3)37-16-18-4-7-21(8-5-18)28(34)35/h4-15,17H,16H2,1-3H3,(H,34,35)(H,30,32,38)/b23-14+InChIKey
GBKAAQLOEWRVLI-OEAKJJBVSA-NSynonyms
4((4((E)(46DIOXO1(4(PROPAN2YL)PHENYL)2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
4((4((E)(46dioxo1(4propan2ylphenyl)2sulfanylidene13diazinan5ylidene)methyl)2methoxyphenoxy)methyl)benzoicacid
CC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)OC)C(=O)NC2=S
COc1cc(ccc1OCc1ccc(cc1)C(=O)O)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)C(C)C
InChI=1SC29H26N2O6Sc117(2)2091122(121020)3127(33)23(26(32)3029(31)38)141961324(25(1519)363)3716184721(8518)28(34)35h41517H16H213H3(H3435)(H303238)b2314+
MFCD02085142
ZINC000033358389
ZINC33358389
Check stock
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