Vitas-M small molecule compound
(3aR,7aS)-2-[4-chloro-1-(2,4-dichlorobenzyl)-1H-pyrazol-3-yl]hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK311088
SMILES Clc1ccc(c(c1)Cl)Cn1cc(c(n1)N1C(=O)[C@@H]2[C@H](C1=O)CCCC2)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 C18H16Cl3N3O2 MW 412.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16Cl3N3O2/c19-11-6-5-10(14(20)7-11)8-23-9-15(21)16(22-23)24-17(25)12-3-1-2-4-13(12)18(24)26/h5-7,9,12-13H,1-4,8H2/t12-,13+InChIKey
QCSWQQDTZIGOSD-BETUJISGSA-NSynonyms
1212074-89-9(3aR7aS)2(4chloro1(24dichlorobenzyl)1Hpyrazol3yl)hexahydro1Hisoindole13(2H)dione
(3aS7aR)2(4chloro1((24dichlorophenyl)methyl)pyrazol3yl)3a45677ahexahydroisoindole13dione
1212074899
C1CCC2C(C1)C(=O)N(C2=O)C3=NN(C=C3Cl)CC4=C(C=C(C=C4)Cl)Cl
Clc1ccc(c(c1)Cl)Cn1cc(c(n1)N1C(=O)(C@@H)2(C@H)(C1=O)CCCC2)Cl
InChI=1SC18H16Cl3N3O2c19116510(14(20)711)823915(21)16(2223)2417(25)12312413(12)18(24)26h5791213H148H2t1213+
MFCD04059080
ZINC000017089378
ZINC17089378
ZINC18166733
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