Vitas-M small molecule compound
(4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide
Catalog ID
STL526267
SMILES CN1CC[C@H]2[C@@H](C1)c1cc(C)ccc1N2C(=S)Nc1cccc(c1)F
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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 C20H22FN3S MW 355.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FN3S/c1-13-6-7-18-16(10-13)17-12-23(2)9-8-19(17)24(18)20(25)22-15-5-3-4-14(21)11-15/h3-7,10-11,17,19H,8-9,12H2,1-2H3,(H,22,25)/t17-,19-/m0/s1InChIKey
BKNGBUQFFHWDRU-HKUYNNGSSA-NSynonyms
1212492-96-0(4~(a)~(S)9~(b)~(R))~(N)(3fluorophenyl)28dimethyl344~(a)9~(b)tetrahydro1~(H)pyrido(43b)indole5carbothioamide
(4aS9bR)N(3fluorophenyl)28dimethyl12344a9bhexahydro5Hpyrido(43b)indole5carbothioamide
(4aS9bR)N(3fluorophenyl)28dimethyl2344atetrahydro1Hpyrido(43b)indole5(9bH)carbothioamide
(4AS9BR)N(3FLUOROPHENYL)28DIMETHYL344A9BTETRAHYDRO1HPYRIDO(43B)INDOLE5CARBOTHIOAMIDE
1212492960
6557529
CN1CC(C@H)2(C@@H)(C1)c1cc(C)ccc1N2C(=S)Nc1cccc(c1)F
InChI=1SC20H22FN3Sc113671816(1013)171223(2)9819(17)24(18)20(25)221553414(21)1115h3710111719H8912H212H3(H2225)t1719m0s1
MFCD02925168
ZINC000003999495
ZINC3999495
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