Vitas-M small molecule compound
N-{(1E)-1-(3,4-dimethoxyphenyl)-3-oxo-3-[2-(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)hydrazinyl]prop-1-en-2-yl}benzamide
Catalog ID
STK330102
SMILES COc1cc(ccc1OC)/C=C(\C(=O)NN=C1C(=O)NC(=O)NC1=O)/NC(=O)c1ccccc1
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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 C22H19N5O7 MW 465.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O7/c1-33-15-9-8-12(11-16(15)34-2)10-14(23-18(28)13-6-4-3-5-7-13)19(29)27-26-17-20(30)24-22(32)25-21(17)31/h3-11H,1-2H3,(H,23,28)(H,27,29)(H2,24,25,30,31,32)/b14-10+InChIKey
DHAHEKCHDQKJKQ-GXDHUFHOSA-NSynonyms
COC1=C(C=C(C=C1)C=C(C(=O)NN=C2C(=O)NC(=O)NC2=O)NC(=O)C3=CC=CC=C3)OC
COc1cc(ccc1OC)C=C(C(=O)NN=C1C(=O)NC(=O)NC1=O)NC(=O)c1ccccc1
InChI=1SC22H19N5O7c133159812(1116(15)342)1014(2318(28)136435713)19(29)27261720(30)2422(32)2521(17)31h311H12H3(H2328)(H2729)(H22425303132)b1410+
MFCD01146775
N((1E)1(34dimethoxyphenyl)3oxo3(2(246trioxotetrahydropyrimidin5(2H)ylidene)hydrazinyl)prop1en2yl)benzamide
N((E)1(34dimethoxyphenyl)3oxo3(2(246trioxo13diazinan5ylidene)hydrazinyl)prop1en2yl)benzamide
ZINC000018192904
ZINC18192904
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