Vitas-M small molecule compound

N-[4-({5-[(Z)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene}methyl]-2-methoxybenzyl}oxy)phenyl]acetamide

Catalog ID
STL327356
SMILES COc1ccc(cc1COc1ccc(cc1)NC(=O)C)/C=C\1/C(=O)NC(=O)N(C1=O)CCC1=CCCCC1

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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 C29H31N3O6 MW 517.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O6/c1-19(33)30-23-9-11-24(12-10-23)38-18-22-16-21(8-13-26(22)37-2)17-25-27(34)31-29(36)32(28(25)35)15-14-20-6-4-3-5-7-20/h6,8-13,16-17H,3-5,7,14-15,18H2,1-2H3,(H,30,33)(H,31,34,36)/b25-17-
InChIKey
XYNILMRXWHMNOC-UQQQWYQISA-N
Synonyms
372503-20-3
(Z)N(4((5((1(2(cyclohex1en1yl)ethyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxybenzyl)oxy)phenyl)acetamide
372503203
COc1ccc(cc1COc1ccc(cc1)NC(=O)C)C=C1C(=O)NC(=O)N(C1=O)CCC1=CCCCC1
InChI=1SC29H31N3O6c119(33)302391124(121023)3818221621(81326(22)372)172527(34)3129(36)32(28(25)35)1514206435720h68131617H357141518H212H3(H3033)(H313436)b2517
MFCD01944212
N(4((5((Z)(1(2(cyclohex1en1yl)ethyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxybenzyl)oxy)phenyl)acetamide
N(4((5((Z)(1(2(CYCLOHEXEN1YL)ETHYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)METHOXY)PHENYL)ACETAMIDE
ZINC000013765656
ZINC13765656

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Available files

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