Vitas-M small molecule compound
2-[2-({(E)-[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-5-chlorobenzyl]-1H-isoindole-1,3(2H)-dione
Catalog ID
STL295668
SMILES Clc1ccc(c(c1)CN1C(=O)c2c(C1=O)cccc2)N/C=C/1\C(=NN(C1=O)c1ccc(cc1)Br)C
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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 C26H18BrClN4O3 MW 549.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18BrClN4O3/c1-15-22(26(35)32(30-15)19-9-6-17(27)7-10-19)13-29-23-11-8-18(28)12-16(23)14-31-24(33)20-4-2-3-5-21(20)25(31)34/h2-13,29H,14H2,1H3/b22-13+InChIKey
RUXAWRXVYPDLDG-LPYMAVHISA-NSynonyms
2((2(((E)(1(4bromophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)5chlorophenyl)methyl)isoindole13dione
2(2(((E)(1(4bromophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)5chlorobenzyl)1Hisoindole13(2H)dione
CC1=NN(C(=O)C1=CNC2=C(C=C(C=C2)Cl)CN3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)Br
Clc1ccc(c(c1)CN1C(=O)c2c(C1=O)cccc2)NC=C1C(=NN(C1=O)c1ccc(cc1)Br)C
InChI=1SC26H18BrClN4O3c11522(26(35)32(3015)199617(27)71019)13292311818(28)1216(23)143124(33)20423521(20)25(31)34h21329H14H21H3b2213+
MFCD28033073
ZINC000101112732
ZINC101112732
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