Vitas-M small molecule compound
N-[4-({5-[(E)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene}methyl]-2-methoxybenzyl}oxy)phenyl]acetamide
Catalog ID
STK603899
SMILES COc1ccc(cc1COc1ccc(cc1)NC(=O)C)/C=C/1\C(=NC(=O)N(C1=O)CCC1=CCCCC1)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 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-KOEQRZSOSA-NSynonyms
CC(=O)NC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C=C3C(=O)NC(=O)N(C3=O)CCC4=CCCCC4)OC
COc1ccc(cc1COc1ccc(cc1)NC(=O)C)C=C1C(=NC(=O)N(C1=O)CCC1=CCCCC1)O
InChI=1SC29H31N3O6c119(33)302391124(121023)3818221621(81326(22)372)172527(34)3129(36)32(28(25)35)1514206435720h68131617H357141518H212H3(H3033)(H313436)b2517+
MFCD08732319
N(4((5((E)(1(2(cyclohex1en1yl)ethyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)2methoxybenzyl)oxy)phenyl)acetamide
N(4((5((E)(1(2(CYCLOHEXEN1YL)ETHYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)METHOXY)PHENYL)ACETAMIDE
ZINC000008737869
ZINC08737869
ZINC8737869
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