Vitas-M small molecule compound
(3aR,7aS)-2-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STL178455
SMILES Cc1ccc(cc1)Sc1cc(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 C21H20N2O4S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O4S/c1-13-6-8-16(9-7-13)28-17-11-14(10-15(12-17)23(26)27)22-20(24)18-4-2-3-5-19(18)21(22)25/h6-12,18-19H,2-5H2,1H3/t18-,19+InChIKey
NTAAEVIRLIUQAX-KDURUIRLSA-NSynonyms
1053071-26-3(3aR7aS)2(3((4methylphenyl)sulfanyl)5nitrophenyl)hexahydro1Hisoindole13(2H)dione
(3aR7aS)2(3(4methylphenyl)sulfanyl5nitrophenyl)3a45677ahexahydroisoindole13dione
1053071263
CC1=CC=C(C=C1)SC2=CC(=CC(=C2)(N+)(=O)(O))N3C(=O)C4CCCCC4C3=O
Cc1ccc(cc1)Sc1cc(cc(c1)(N+)(=O)(O))N1C(=O)(C@@H)2(C@H)(C1=O)CCCC2
InChI=1SC21H20N2O4Sc1136816(9713)28171114(1015(1217)23(26)27)2220(24)18423519(18)21(22)25h6121819H25H21H3t1819+
MFCD04140656
ZINC000006923576
ZINC06923576
ZINC6923576
Check stock
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