Vitas-M small molecule compound
(3aR,7aS)-2-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STL178289
SMILES Clc1ccc(c(c1)Cl)Oc1cc(cc(c1)[N+](=O)[O-])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 C20H16Cl2N2O5 MW 435.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16Cl2N2O5/c21-11-5-6-18(17(22)7-11)29-14-9-12(8-13(10-14)24(27)28)23-19(25)15-3-1-2-4-16(15)20(23)26/h5-10,15-16H,1-4H2/t15-,16+InChIKey
OKLMLZLVLZXDQZ-IYBDPMFKSA-NSynonyms
(3aR7aS)2(3(24dichlorophenoxy)5nitrophenyl)3a45677ahexahydroisoindole13dione
(3aR7aS)2(3(24dichlorophenoxy)5nitrophenyl)hexahydro1Hisoindole13(2H)dione
C1CCC2C(C1)C(=O)N(C2=O)C3=CC(=CC(=C3)OC4=C(C=C(C=C4)Cl)Cl)(N+)(=O)(O)
Clc1ccc(c(c1)Cl)Oc1cc(cc(c1)(N+)(=O)(O))N1C(=O)(C@@H)2(C@H)(C1=O)CCCC2
InChI=1SC20H16Cl2N2O5c21115618(17(22)711)2914912(813(1014)24(27)28)2319(25)15312416(15)20(23)26h5101516H14H2t1516+
MFCD04138275
ZINC000002809763
ZINC02809763
ZINC2809763
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