Vitas-M small molecule compound

methyl 2-{[(Z)-(1-benzyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-3,4,5-trimethoxybenzoate

Catalog ID
STK257535
SMILES COC(=O)c1cc(OC)c(c(c1N/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccccc1)OC)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 C23H23N3O8 MW 469.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O8/c1-31-16-10-14(22(29)34-4)17(19(33-3)18(16)32-2)24-11-15-20(27)25-23(30)26(21(15)28)12-13-8-6-5-7-9-13/h5-11,24H,12H2,1-4H3,(H,25,27,30)/b15-11-
InChIKey
ICGIPDVGXSJCQO-PTNGSMBKSA-N
Synonyms

COC(=O)c1cc(OC)c(c(c1NC=C1C(=O)NC(=O)N(C1=O)Cc1ccccc1)OC)OC
COC1=C(C(=C(C(=C1)C(=O)OC)NC=C2C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3)OC)OC
InChI=1SC23H23N3O8c131161014(22(29)344)17(19(333)18(16)322)24111520(27)2523(30)26(21(15)28)12138657913h51124H12H214H3(H252730)b1511
METHYL2(((Z)(1BENZYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)345TRIMETHOXYBENZOATE
methyl2(((Z)(1benzyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)345trimethoxybenzoate
METHYL345TRIMETHOXY2(((246TRIOXO1BENZYL(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)AMINO)BENZOATE
MFCD02019300
ZINC000100091123
ZINC08857477
ZINC100091123

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Available files

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