Vitas-M small molecule compound
5,6-dimethyl-2-[4-(pentyloxy)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK052046
SMILES CCCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)CC(=C(C2)C)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 C21H27NO3 MW 341.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO3/c1-4-5-6-11-25-17-9-7-16(8-10-17)22-20(23)18-12-14(2)15(3)13-19(18)21(22)24/h7-10,18-19H,4-6,11-13H2,1-3H3InChIKey
SCYGGCDCGJZWAB-UHFFFAOYSA-NSynonyms
56DIMETHYL2(4(PENTYLOXY)PHENYL)3A477ATETRAHYDRO1HISOINDOLE13(2H)DIONE
56DIMETHYL2(4PENTOXYPHENYL)3A477ATETRAHYDROISOINDOLE13DIONE
56DIMETHYL2(4PENTYLOXYPHENYL)3A477ATETRAHYDROISOINDOLE13DIONE
CCCCCOC1=CC=C(C=C1)N2C(=O)C3CC(=C(CC3C2=O)C)C
CCCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)CC(=C(C2)C)C
InChI=1SC21H27NO3c14561125179716(81017)2220(23)181214(2)15(3)1319(18)21(22)24h7101819H461113H213H3
MFCD02149574
STK052046
ZINC000018107040
ZINC000100596320
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