Vitas-M small molecule compound

2-(5-{(E)-[(8-chloro-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
STK540191
SMILES COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=N/n1cnc2c(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 C27H18ClN5O4 MW 511.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClN5O4/c1-37-22-9-6-15(10-16(22)13-32-25(34)18-4-2-3-5-19(18)26(32)35)12-30-33-14-29-23-20-11-17(28)7-8-21(20)31-24(23)27(33)36/h2-12,14,31H,13H2,1H3/b30-12+
InChIKey
MLCCUGAOGBOSEN-PNQUVVCRSA-N
Synonyms
371132-75-1
(E)2(5(((8chloro4oxo45dihydro3Hpyrimido(54b)indol3yl)imino)methyl)2methoxybenzyl)isoindoline13dione
2((5((E)(8CHLORO4OXO5HPYRIMIDO(54B)INDOL3YL)IMINOMETHYL)2METHOXYPHENYL)METHYL)ISOINDOLE13DIONE
2(5((E)((8chloro4oxo45dihydro3Hpyrimido(54b)indol3yl)imino)methyl)2methoxybenzyl)1Hisoindole13(2H)dione
371132751
COC1=C(C=C(C=C1)C=NN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Cl)CN5C(=O)C6=CC=CC=C6C5=O
COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)C=Nn1cnc2c(c1=O)(nH)c1c2cc(cc1)Cl
InChI=1SC27H18ClN5O4c137229615(1016(22)133225(34)18423519(18)26(32)35)123033142923201117(28)7821(20)3124(23)27(33)36h2121431H13H21H3b3012+
MFCD03008486
ZINC000002314375
ZINC2314374

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Available files

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