Vitas-M small molecule compound
2-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Catalog ID
STK311498
SMILES Cc1ccc(cc1)Sc1cc(cc(c1)[N+](=O)[O-])N1C(=O)C2C(C1=O)C1OC2CC1
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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 C21H18N2O5S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S/c1-11-2-4-14(5-3-11)29-15-9-12(8-13(10-15)23(26)27)22-20(24)18-16-6-7-17(28-16)19(18)21(22)25/h2-5,8-10,16-19H,6-7H2,1H3InChIKey
HTKORJTXUQQZNO-UHFFFAOYSA-NSynonyms
1052566-92-31052566923
2(3((4methylphenyl)sulfanyl)5nitrophenyl)hexahydro1H47epoxyisoindole13(2H)dione
2(3(4methylphenyl)sulfanyl5nitrophenyl)3a45677ahexahydrooctahydro1H47epoxyisoindole13dione
CC1=CC=C(C=C1)SC2=CC(=CC(=C2)(N+)(=O)(O))N3C(=O)C4C5CCC(C4C3=O)O5
Cc1ccc(cc1)Sc1cc(cc(c1)(N+)(=O)(O))N1C(=O)C2C(C1=O)C1OC2CC1
InChI=1SC21H18N2O5Sc1112414(5311)2915912(813(1015)23(26)27)2220(24)18166717(2816)19(18)21(22)25h258101619H67H21H3
MFCD04138048
ZINC000103155181
ZINC000103155187
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