Vitas-M small molecule compound
(4aS,9bR)-2,8-dimethyl-N-(tetrahydrofuran-2-ylmethyl)-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide
Catalog ID
STK557752
SMILES CN1CC[C@H]2[C@@H](C1)c1cc(C)ccc1N2C(=S)NCC1CCCO1
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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 C19H27N3OS MW 345.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27N3OS/c1-13-5-6-17-15(10-13)16-12-21(2)8-7-18(16)22(17)19(24)20-11-14-4-3-9-23-14/h5-6,10,14,16,18H,3-4,7-9,11-12H2,1-2H3,(H,20,24)/t14?,16-,18-/m0/s1InChIKey
WSCKMIBHIVCVOS-CMTKHDEESA-NSynonyms
(4aS9bR)28dimethylN((tetrahydrofuran2yl)methyl)2344atetrahydro1Hpyrido(43b)indole5(9bH)carbothioamide
(4aS9bR)28dimethylN(oxolan2ylmethyl)344a9btetrahydro1Hpyrido(43b)indole5carbothioamide
(4aS9bR)28dimethylN(tetrahydrofuran2ylmethyl)12344a9bhexahydro5Hpyrido(43b)indole5carbothioamide
CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=S)NCC4CCCO4
CN1CC(C@H)2(C@@H)(C1)c1cc(C)ccc1N2C(=S)NCC1CCCO1
InChI=1SC19H27N3OSc113561715(1013)161221(2)8718(16)22(17)19(24)2011144392314h5610141618H34791112H212H3(H2024)t14?1618m0s1
MFCD18243029
ZINC000005050120
ZINC000005050126
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