Vitas-M small molecule compound

ethyl {[2-(2-methoxy-4-{(Z)-[1-(4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)ethyl]sulfanyl}acetate

Catalog ID
STK010010
SMILES CCOC(=O)CSCCOc1ccc(cc1OC)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)OC

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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 C25H26N2O8S MW 514.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O8S/c1-4-34-22(28)15-36-12-11-35-20-10-5-16(14-21(20)33-3)13-19-23(29)26-25(31)27(24(19)30)17-6-8-18(32-2)9-7-17/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,26,29,31)/b19-13-
InChIKey
UZBJOSSBQPXWID-UYRXBGFRSA-N
Synonyms

CCOC(=O)CSCCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)OC)OC
CCOC(=O)CSCCOc1ccc(cc1OC)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)OC
ETHYL((2(2METHOXY4((Z)(1(4METHOXYPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ETHYL)SULFANYL)ACETATE
ETHYL2(2(2METHOXY4((Z)(1(4METHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ETHYLSULFANYL)ACETATE
InChI=1SC25H26N2O8Sc143422(28)15361211352010516(1421(20)333)131923(29)2625(31)27(24(19)30)176818(322)9717h5101314H4111215H213H3(H262931)b1913
MFCD02017807
STK010010
ZINC000012285450
ZINC12285450

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.