Vitas-M small molecule compound
2-[(2-methoxy-4-{(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzonitrile
Catalog ID
STK197647
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(c(c2)OC)OCc2ccccc2C#N)/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 C27H21N3O5S MW 499.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O5S/c1-33-21-10-8-20(9-11-21)30-26(32)22(25(31)29-27(30)36)13-17-7-12-23(24(14-17)34-2)35-16-19-6-4-3-5-18(19)15-28/h3-14H,16H2,1-2H3,(H,29,31,36)/b22-13+InChIKey
IKALRPHKCHKFQJ-LPYMAVHISA-NSynonyms
2((2methoxy4((E)(1(4methoxyphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)phenoxy)methyl)benzonitrile
2((2METHOXY4((E)(1(4METHOXYPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4C#N)OC)C(=O)NC2=S
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(c(c2)OC)OCc2ccccc2C#N)C1=O
InChI=1SC27H21N3O5Sc1332110820(91121)3026(32)22(25(31)2927(30)36)131771223(24(1417)342)351619643518(19)1528h314H16H212H3(H293136)b2213+
MFCD02085128
ZINC000009310977
ZINC09310977
ZINC9310977
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