Vitas-M small molecule compound
(3aR,7aS)-2-[1-(2-chloro-4-fluorobenzyl)-1H-1,2,4-triazol-3-yl]hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK311213
SMILES Fc1ccc(c(c1)Cl)Cn1cnc(n1)N1C(=O)[C@@H]2[C@H](C1=O)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 C17H16ClFN4O2 MW 362.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClFN4O2/c18-14-7-11(19)6-5-10(14)8-22-9-20-17(21-22)23-15(24)12-3-1-2-4-13(12)16(23)25/h5-7,9,12-13H,1-4,8H2/t12-,13+InChIKey
MRZBFVCOMASKKK-BETUJISGSA-NSynonyms
1052580-45-6(3aR7aS)2(1((2chloro4fluorophenyl)methyl)124triazol3yl)3a45677ahexahydroisoindole13dione
(3aR7aS)2(1(2chloro4fluorobenzyl)1H124triazol3yl)hexahydro1Hisoindole13(2H)dione
1052580456
C1CCC2C(C1)C(=O)N(C2=O)C3=NN(C=N3)CC4=C(C=C(C=C4)F)Cl
Fc1ccc(c(c1)Cl)Cn1cnc(n1)N1C(=O)(C@@H)2(C@H)(C1=O)CCCC2
InChI=1SC17H16ClFN4O2c1814711(19)6510(14)82292017(2122)2315(24)12312413(12)16(23)25h5791213H148H2t1213+
MFCD04059415
ZINC000013960180
ZINC13960180
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