Vitas-M small molecule compound
5-{[(4aS,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl]sulfonyl}-6-methylpyrimidine-2,4(1H,3H)-dione
Catalog ID
STK675225
SMILES CN1CC[C@H]2[C@@H](C1)c1cc(C)ccc1N2S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=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 C18H22N4O4S MW 390.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O4S/c1-10-4-5-14-12(8-10)13-9-21(3)7-6-15(13)22(14)27(25,26)16-11(2)19-18(24)20-17(16)23/h4-5,8,13,15H,6-7,9H2,1-3H3,(H2,19,20,23,24)/t13-,15-/m0/s1InChIKey
OSJXLGYGTAWHGU-ZFWWWQNUSA-NSynonyms
5(((4aS9bR)28dimethyl12344a9bhexahydro5Hpyrido(43b)indol5yl)sulfonyl)6methylpyrimidine24(1H3H)dione
5(((4aS9bR)28dimethyl344a9btetrahydro1Hpyrido(43b)indol5yl)sulfonyl)6methyl1Hpyrimidine24dione
CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)S(=O)(=O)C4=C(NC(=O)NC4=O)C
CN1CC(C@H)2(C@@H)(C1)c1cc(C)ccc1N2S(=O)(=O)c1c(C)(nH)c(=O)(nH)c1=O
InChI=1SC18H22N4O4Sc110451412(810)13921(3)7615(13)22(14)27(2526)1611(2)1918(24)2017(16)23h4581315H679H213H3(H219202324)t1315m0s1
MFCD01831611
ZINC000000969172
ZINC969172
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