Vitas-M small molecule compound

(3aR,7aS)-2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]hexahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK311309
SMILES O=C1N(CCCn2nc(c(c2C)Br)C)C(=O)[C@@H]2[C@H]1CCCC2

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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 C16H22BrN3O2 MW 368.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22BrN3O2/c1-10-14(17)11(2)20(18-10)9-5-8-19-15(21)12-6-3-4-7-13(12)16(19)22/h12-13H,3-9H2,1-2H3/t12-,13+
InChIKey
FXHAEAFHLPHOJS-BETUJISGSA-N
Synonyms
1212243-78-1
(3aR7aS)2(3(4bromo35dimethyl1Hpyrazol1yl)propyl)hexahydro1Hisoindole13(2H)dione
(3aS7aR)2(3(4bromo35dimethylpyrazol1yl)propyl)3a45677ahexahydroisoindole13dione
1212243781
CC1=C(C(=NN1CCCN2C(=O)C3CCCCC3C2=O)C)Br
InChI=1SC16H22BrN3O2c11014(17)11(2)20(1810)9581915(21)12634713(12)16(19)22h1213H39H212H3t1213+
MFCD04059993
O=C1N(CCCn2nc(c(c2C)Br)C)C(=O)(C@@H)2(C@H)1CCCC2
ZINC000017075545
ZINC17075545
ZINC18166801

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Available files

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