Vitas-M small molecule compound
N-(2-{6-[(Z)-(1-cyclohexyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-N-methylbenzamide
Catalog ID
STL513747
SMILES COc1c(/C=C\2/C(=NC(=O)N(C2=O)C2CCCCC2)O)c(CCN(C(=O)c2ccccc2)C)cc2c1OCO2
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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 C29H31N3O7 MW 533.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O7/c1-31(27(34)18-9-5-3-6-10-18)14-13-19-15-23-25(39-17-38-23)24(37-2)21(19)16-22-26(33)30-29(36)32(28(22)35)20-11-7-4-8-12-20/h3,5-6,9-10,15-16,20H,4,7-8,11-14,17H2,1-2H3,(H,30,33,36)/b22-16-InChIKey
NSJRFIRRJUPOHH-JWGURIENSA-NSynonyms
~(N)(2(6((~(Z))(1cyclohexyl246trioxo13diazinan5ylidene)methyl)7methoxy13benzodioxol5yl)ethyl)~(N)methylbenzamide
16399182
InChI=1SC29H31N3O7c131(27(34)1895361018)141319152325(39173823)24(372)21(19)162226(33)3029(36)32(28(22)35)20117481220h356910151620H478111417H212H3(H303336)b2216
MFCD03266995
N(2(6((Z)(1cyclohexyl4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)7methoxy13benzodioxol5yl)ethyl)Nmethylbenzamide
ZINC000070680861
ZINC70680861
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