Vitas-M small molecule compound
N-(2-{6-[(Z)-(1-benzyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-N-methylbenzamide
Catalog ID
STL513563
SMILES COc1c(/C=C\2/C(=O)NC(=O)N(C2=O)Cc2ccccc2)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 C30H27N3O7 MW 541.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O7/c1-32(28(35)20-11-7-4-8-12-20)14-13-21-15-24-26(40-18-39-24)25(38-2)22(21)16-23-27(34)31-30(37)33(29(23)36)17-19-9-5-3-6-10-19/h3-12,15-16H,13-14,17-18H2,1-2H3,(H,31,34,37)/b23-16-InChIKey
BBWRVJKHOKQCQO-KQWNVCNZSA-NSynonyms
370584-22-8(Z)N(2(6((1benzyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)7methoxybenzo(d)(13)dioxol5yl)ethyl)Nmethylbenzamide
~(N)(2(6((~(Z))(1benzyl246trioxo13diazinan5ylidene)methyl)7methoxy13benzodioxol5yl)ethyl)~(N)methylbenzamide
16397463
370584228
COc1c(C=C2C(=O)NC(=O)N(C2=O)Cc2ccccc2)c(CCN(C(=O)c2ccccc2)C)cc2c1OCO2
InChI=1SC30H27N3O7c132(28(35)20117481220)141321152426(40183924)25(382)22(21)162327(34)3130(37)33(29(23)36)171995361019h3121516H13141718H212H3(H313437)b2316
MFCD01845823
N(2(6((Z)(1benzyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)7methoxy13benzodioxol5yl)ethyl)Nmethylbenzamide
ZINC000070671973
ZINC70671973
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