Vitas-M small molecule compound

N-[2-(6-{(Z)-[1-(2-ethoxyphenyl)-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-N-methylacetamide

Catalog ID
STL514178
SMILES CCOc1ccccc1N1C(=NC(=O)/C(=C/c2c(CCN(C(=O)C)C)cc3c(c2OC)OCO3)/C1=O)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 C26H27N3O8 MW 509.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O8/c1-5-35-20-9-7-6-8-19(20)29-25(32)18(24(31)27-26(29)33)13-17-16(10-11-28(3)15(2)30)12-21-23(22(17)34-4)37-14-36-21/h6-9,12-13H,5,10-11,14H2,1-4H3,(H,27,31,33)/b18-13-
InChIKey
XHTUELHEYDUVKU-AQTBWJFISA-N
Synonyms

~(N)(2(6((~(Z))(1(2ethoxyphenyl)246trioxo13diazinan5ylidene)methyl)7methoxy13benzodioxol5yl)ethyl)~(N)methylacetamide
1798652
InChI=1SC26H27N3O8c153520976819(20)2925(32)18(24(31)2726(29)33)131716(101128(3)15(2)30)122123(22(17)344)37143621h691213H5101114H214H3(H273133)b1813
MFCD04080483
N(2(6((Z)(1(2ETHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)7METHOXY13BENZODIOXOL5YL)ETHYL)NMETHYLACETAMIDE
N(2(6((Z)(1(2ethoxyphenyl)2hydroxy46dioxo16dihydropyrimidin5(4H)ylidene)methyl)7methoxy13benzodioxol5yl)ethyl)Nmethylacetamide
ZINC000009353833
ZINC9353833

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Available files

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