Vitas-M small molecule compound
2-(3-chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK084552
SMILES CC1=CCC2C(C1)C(=O)N(C2=O)c1cccc(c1C)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 C16H16ClNO2 MW 289.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16ClNO2/c1-9-6-7-11-12(8-9)16(20)18(15(11)19)14-5-3-4-13(17)10(14)2/h3-6,11-12H,7-8H2,1-2H3InChIKey
XXDHNSKORHFRAY-UHFFFAOYSA-NSynonyms
2(3CHLORO2METHYLPHENYL)5METHYL3A477ATETRAHYDRO1HISOINDOLE13(2H)DIONE
2(3CHLORO2METHYLPHENYL)5METHYL3A477ATETRAHYDROISOINDOLE13DIONE
CC1=CCC2C(C1)C(=O)N(C2=O)c1cccc(c1C)Cl
CC1=CCC2C(C1)C(=O)N(C2=O)C3=C(C(=CC=C3)Cl)C
InChI=1SC16H16ClNO2c19671112(89)16(20)18(15(11)19)1453413(17)10(14)2h361112H78H212H3
MFCD03139798
STK084552
ZINC000000459194
ZINC000100846204
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