Vitas-M small molecule compound
N-[2-(7-methoxy-6-{(Z)-[1-(2-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1,3-benzodioxol-5-yl)ethyl]-N-methylbenzamide
Catalog ID
STL513584
SMILES COc1c(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccccc2C)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/c1-18-9-7-8-12-23(18)33-29(36)22(27(34)31-30(33)37)16-21-20(15-24-26(25(21)38-3)40-17-39-24)13-14-32(2)28(35)19-10-5-4-6-11-19/h4-12,15-16H,13-14,17H2,1-3H3,(H,31,34,37)/b22-16-InChIKey
DAWPPBVMZGJLEN-JWGURIENSA-NSynonyms
370585-80-1(Z)N(2(7methoxy6((246trioxo1(otolyl)tetrahydropyrimidin5(2H)ylidene)methyl)benzo(d)(13)dioxol5yl)ethyl)Nmethylbenzamide
~(N)(2(7methoxy6((~(Z))(1(2methylphenyl)246trioxo13diazinan5ylidene)methyl)13benzodioxol5yl)ethyl)~(N)methylbenzamide
16397561
370585801
COc1c(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2C)c(CCN(C(=O)c2ccccc2)C)cc2c1OCO2
InChI=1SC30H27N3O7c1189781223(18)3329(36)22(27(34)3130(33)37)162120(152426(25(21)383)40173924)131432(2)28(35)19105461119h4121516H131417H213H3(H313437)b2216
MFCD01845735
N(2(7methoxy6((Z)(1(2methylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)13benzodioxol5yl)ethyl)Nmethylbenzamide
ZINC000070672230
ZINC70672230
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