Vitas-M small molecule compound
4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenyl benzoate
Catalog ID
STK154005
SMILES COc1cc(ccc1OC(=O)c1ccccc1)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)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 C26H19ClN2O6 MW 490.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN2O6/c1-15-8-10-18(14-20(15)27)29-24(31)19(23(30)28-26(29)33)12-16-9-11-21(22(13-16)34-2)35-25(32)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,28,30,33)/b19-12-InChIKey
ARGKWPQXXCWJRN-UNOMPAQXSA-NSynonyms
(4((Z)(1(3CHLORO4METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)BENZOATE
4((Z)(1(3CHLORO4METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENYLBENZOATE
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4)OC)C(=O)NC2=O)Cl
COc1cc(ccc1OC(=O)c1ccccc1)C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C
InChI=1SC26H19ClN2O6c11581018(1420(15)27)2924(31)19(23(30)2826(29)33)121691121(22(1316)342)3525(32)176435717h314H12H3(H283033)b1912
MFCD08673230
ZINC000009720772
ZINC09720772
ZINC9720772
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