Vitas-M small molecule compound
2-{[(E)-{2-[(4-chlorobenzyl)oxy]naphthalen-1-yl}methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK364994
SMILES Clc1ccc(cc1)COc1ccc2c(c1/C=N/N1C(=O)C3C(C1=O)C1CC3C=C1)cccc2
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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 C27H21ClN2O3 MW 456.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN2O3/c28-20-10-5-16(6-11-20)15-33-23-12-9-17-3-1-2-4-21(17)22(23)14-29-30-26(31)24-18-7-8-19(13-18)25(24)27(30)32/h1-12,14,18-19,24-25H,13,15H2/b29-14+InChIKey
RACGFZKTFLBFCJ-IPPBACCNSA-NSynonyms
2(((E)(2((4CHLOROBENZYL)OXY)NAPHTHALEN1YL)METHYLIDENE)AMINO)3A477ATETRAHYDRO1H47METHANOISOINDOLE13(2H)DIONE
C1C2C=CC1C3C2C(=O)N(C3=O)N=CC4=C(C=CC5=CC=CC=C54)OCC6=CC=C(C=C6)Cl
Clc1ccc(cc1)COc1ccc2c(c1C=NN1C(=O)C3C(C1=O)C1CC3C=C1)cccc2
InChI=1SC27H21ClN2O3c282010516(61120)15332312917312421(17)22(23)14293026(31)24187819(1318)25(24)27(30)32h1121418192425H1315H2b2914+
MFCD03556285
ZINC000101021468
ZINC000107880426
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