Vitas-M small molecule compound
(3aR,7aS)-2-[4-chloro-1-(3,4-dichlorobenzyl)-1H-pyrazol-3-yl]hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK311099
SMILES O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1nn(cc1Cl)Cc1ccc(c(c1)Cl)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/c19-13-6-5-10(7-14(13)20)8-23-9-15(21)16(22-23)24-17(25)11-3-1-2-4-12(11)18(24)26/h5-7,9,11-12H,1-4,8H2/t11-,12+InChIKey
UTTAMVRRRDTIKB-TXEJJXNPSA-NSynonyms
1212313-24-0(3aR7aS)2(4chloro1(34dichlorobenzyl)1Hpyrazol3yl)hexahydro1Hisoindole13(2H)dione
(3aS7aR)2(4chloro1((34dichlorophenyl)methyl)pyrazol3yl)3a45677ahexahydroisoindole13dione
1212313240
C1CCC2C(C1)C(=O)N(C2=O)C3=NN(C=C3Cl)CC4=CC(=C(C=C4)Cl)Cl
InChI=1SC18H16Cl3N3O2c19136510(714(13)20)823915(21)16(2223)2417(25)11312412(11)18(24)26h5791112H148H2t1112+
MFCD04059103
O=C1(C@@H)2CCCC(C@@H)2C(=O)N1c1nn(cc1Cl)Cc1ccc(c(c1)Cl)Cl
ZINC000017089375
ZINC17089375
ZINC18166742
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