Vitas-M small molecule compound
(3aR,7aS)-2-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK311146
SMILES Cc1ccc(cc1)Cn1nc(c(c1C)N1C(=O)[C@@H]2[C@H](C1=O)CCCC2)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 C21H25N3O2 MW 351.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O2/c1-13-8-10-16(11-9-13)12-23-15(3)19(14(2)22-23)24-20(25)17-6-4-5-7-18(17)21(24)26/h8-11,17-18H,4-7,12H2,1-3H3/t17-,18+InChIKey
TYYPDQRCTFHZQA-HDICACEKSA-NSynonyms
1212064-48-6(3aR7aS)2(35dimethyl1((4methylphenyl)methyl)pyrazol4yl)3a45677ahexahydroisoindole13dione
(3aR7aS)2(35dimethyl1(4methylbenzyl)1Hpyrazol4yl)hexahydro1Hisoindole13(2H)dione
1212064486
CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)N3C(=O)C4CCCCC4C3=O)C
Cc1ccc(cc1)Cn1nc(c(c1C)N1C(=O)(C@@H)2(C@H)(C1=O)CCCC2)C
InChI=1SC21H25N3O2c11381016(11913)122315(3)19(14(2)2223)2420(25)17645718(17)21(24)26h8111718H4712H213H3t1718+
MFCD04059239
ZINC000017072941
ZINC17072941
ZINC18166761
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