Vitas-M small molecule compound
(4aS,9bR)-2,8-dimethyl-5-[(4-nitrophenyl)sulfonyl]-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
Catalog ID
STK531143
SMILES CN1CC[C@H]2[C@@H](C1)c1cc(C)ccc1N2S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
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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 C19H21N3O4S MW 387.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O4S/c1-13-3-8-18-16(11-13)17-12-20(2)10-9-19(17)21(18)27(25,26)15-6-4-14(5-7-15)22(23)24/h3-8,11,17,19H,9-10,12H2,1-2H3/t17-,19-/m0/s1InChIKey
HOZQYTNOQZBRCS-HKUYNNGSSA-NSynonyms
(4aR9bR)28dimethyl5((4nitrophenyl)sulfonyl)2344a59bhexahydro1Hpyrido(43b)indolehydrochloride
(4aS9bR)28dimethyl5((4nitrophenyl)sulfonyl)2344a59bhexahydro1Hpyrido(43b)indole
(4AS9BR)28DIMETHYL5(4NITROPHENYL)SULFONYL344A9BTETRAHYDRO1HPYRIDO(43B)INDOLE
CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)S(=O)(=O)C4=CC=C(C=C4)(N+)(=O)(O)
CN1CC(C@@H)2(C@@H)(C1)c1cc(C)ccc1N2S(=O)(=O)c1ccc(cc1)(N+)(=O)(O)Cl
CN1CC(C@H)2(C@@H)(C1)c1cc(C)ccc1N2S(=O)(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC19H21N3O4Sc113381816(1113)171220(2)10919(17)21(18)27(2526)156414(5715)22(23)24h38111719H91012H212H3t1719m0s1
MFCD18241602
ZINC000002101190
ZINC2101190
Check stock
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Check stock on Vitas-MAvailable files
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