Vitas-M small molecule compound

(1S,5R)-N-(3-chloro-4-fluorophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide

Catalog ID
STK687853
SMILES S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Nc1ccc(c(c1)Cl)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 C18H17ClFN3OS MW 377.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClFN3OS/c19-14-7-13(4-5-15(14)20)21-18(25)22-8-11-6-12(10-22)16-2-1-3-17(24)23(16)9-11/h1-5,7,11-12H,6,8-10H2,(H,21,25)/t11-,12+/m0/s1
InChIKey
RXKCHYZFZMUMFH-NWDGAFQWSA-N
Synonyms
1082668-56-1
(1R5R)N(3chloro4fluorophenyl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carbothioamide
(1S5R)N(3chloro4fluorophenyl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carbothioamide
S=C(N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)Nc1ccc(c(c1)Cl)F
S=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Nc1ccc(c(c1)Cl)F
Registry IDs
MFCD07022152
ZINC000100212083

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Available files

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