Vitas-M small molecule compound

N-{4-[(5-{(Z)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxybenzyl)oxy]phenyl}acetamide

Catalog ID
STK533540
SMILES CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2ccc(c(c2)COc2ccc(cc2)NC(=O)C)OC)/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 C29H27N3O6S MW 545.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O6S/c1-4-37-23-12-8-22(9-13-23)32-28(35)25(27(34)31-29(32)39)16-19-5-14-26(36-3)20(15-19)17-38-24-10-6-21(7-11-24)30-18(2)33/h5-16H,4,17H2,1-3H3,(H,30,33)(H,31,34,39)/b25-16-
InChIKey
SCHXYAFIRWDUPT-XYGWBWBKSA-N
Synonyms
374101-98-1
(Z)N(4((5((1(4ethoxyphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxybenzyl)oxy)phenyl)acetamide
374101981
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC)COC4=CC=C(C=C4)NC(=O)C)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(c(c2)COc2ccc(cc2)NC(=O)C)OC)C1=O
InChI=1SC29H27N3O6Sc14372312822(91323)3228(35)25(27(34)3129(32)39)161951426(363)20(1519)17382410621(71124)3018(2)33h516H417H213H3(H3033)(H313439)b2516
MFCD01953128
N(4((5((Z)(1(4ETHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)METHOXY)PHENYL)ACETAMIDE
N(4((5((Z)(1(4ethoxyphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxybenzyl)oxy)phenyl)acetamide
ZINC000100241475
ZINC100241475

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Available files

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