Vitas-M small molecule compound
6-chloro-N-{[(5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}pyridine-3-carboxamide
Catalog ID
STK686669
SMILES Clc1ccc(cn1)C(=O)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C18H17ClN4O2S MW 388.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN4O2S/c19-15-5-4-12(7-20-15)17(25)21-18(26)22-8-11-6-13(10-22)14-2-1-3-16(24)23(14)9-11/h1-5,7,11,13H,6,8-10H2,(H,21,25,26)/t11-,13+/m0/s1InChIKey
HUEFDFDIPRZVQL-WCQYABFASA-NSynonyms
6chloroN(((5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)pyridine3carboxamide
6chloroN((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbonothioyl)nicotinamide
C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=S)NC(=O)C4=CN=C(C=C4)Cl
Clc1ccc(cn1)C(=O)NC(=S)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
Clc1ccc(cn1)C(=O)NC(=S)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC18H17ClN4O2Sc19155412(72015)17(25)2118(26)22811613(1022)1421316(24)23(14)911h1571113H6810H2(H212526)t1113+m1s1
MFCD18246942
ZINC000100199035
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