Vitas-M small molecule compound

N-[4-({5-[(Z)-(1-tert-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxybenzyl}oxy)phenyl]acetamide

Catalog ID
STK534708
SMILES COc1ccc(cc1COc1ccc(cc1)NC(=O)C)/C=C\1/C(=O)NC(=O)N(C1=O)C(C)(C)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 C25H27N3O6 MW 465.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O6/c1-15(29)26-18-7-9-19(10-8-18)34-14-17-12-16(6-11-21(17)33-5)13-20-22(30)27-24(32)28(23(20)31)25(2,3)4/h6-13H,14H2,1-5H3,(H,26,29)(H,27,30,32)/b20-13-
InChIKey
HEPXOMCAVRBEGE-MOSHPQCFSA-N
Synonyms
374102-15-5
(Z)N(4((5((1(tertbutyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxybenzyl)oxy)phenyl)acetamide
374102155
CC(=O)NC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C=C3C(=O)NC(=O)N(C3=O)C(C)(C)C)OC
COc1ccc(cc1COc1ccc(cc1)NC(=O)C)C=C1C(=O)NC(=O)N(C1=O)C(C)(C)C
InChI=1SC25H27N3O6c115(29)26187919(10818)3414171216(61121(17)335)132022(30)2724(32)28(23(20)31)25(23)4h613H14H215H3(H2629)(H273032)b2013
MFCD01953147
N(4((5((Z)(1TERTBUTYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)METHOXY)PHENYL)ACETAMIDE
N(4((5((Z)(1tertbutyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxybenzyl)oxy)phenyl)acetamide
ZINC000002286306
ZINC02286306
ZINC17029381
ZINC2286306

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Available files

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