Vitas-M small molecule compound
2-(5-{(E)-[(8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino]methyl}-2-methoxybenzyl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STL333583
SMILES COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=N/n1c(C)nc2c(c1=O)[nH]c1c2cc(cc1)Cl
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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 C28H20ClN5O4 MW 525.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClN5O4/c1-15-31-24-21-12-18(29)8-9-22(21)32-25(24)28(37)34(15)30-13-16-7-10-23(38-2)17(11-16)14-33-26(35)19-5-3-4-6-20(19)27(33)36/h3-13,32H,14H2,1-2H3/b30-13+InChIKey
GZAPAOCLOBDHNQ-VVEOGCPPSA-NSynonyms
488121-71-7(E)2(5(((8chloro2methyl4oxo45dihydro3Hpyrimido(54b)indol3yl)imino)methyl)2methoxybenzyl)isoindoline13dione
2((5((E)(8CHLORO2METHYL4OXO5HPYRIMIDO(54B)INDOL3YL)IMINOMETHYL)2METHOXYPHENYL)METHYL)ISOINDOLE13DIONE
2(5((E)((8chloro2methyl4oxo45dihydro3Hpyrimido(54b)indol3yl)imino)methyl)2methoxybenzyl)1Hisoindole13(2H)dione
488121717
CC1=NC2=C(C(=O)N1N=CC3=CC(=C(C=C3)OC)CN4C(=O)C5=CC=CC=C5C4=O)NC6=C2C=C(C=C6)Cl
COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)C=Nn1c(C)nc2c(c1=O)(nH)c1c2cc(cc1)Cl
InChI=1SC28H20ClN5O4c1153124211218(29)8922(21)3225(24)28(37)34(15)30131671023(382)17(1116)143326(35)19534620(19)27(33)36h31332H14H212H3b3013+
MFCD03289455
ZINC000002330441
ZINC103769239
Check stock
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Check stock on Vitas-MAvailable files
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