Vitas-M small molecule compound
4-chloro-N-{[(5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}benzamide
Catalog ID
STK686208
SMILES Clc1ccc(cc1)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 C19H18ClN3O2S MW 387.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O2S/c20-15-6-4-13(5-7-15)18(25)21-19(26)22-9-12-8-14(11-22)16-2-1-3-17(24)23(16)10-12/h1-7,12,14H,8-11H2,(H,21,25,26)/t12-,14+/m0/s1InChIKey
AKBAWETZQQHGRJ-GXTWGEPZSA-NSynonyms
4chloroN(((5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)benzamide
4chloroN((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbonothioyl)benzamide
C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=S)NC(=O)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)C(=O)NC(=S)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
Clc1ccc(cc1)C(=O)NC(=S)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC19H18ClN3O2Sc20156413(5715)18(25)2119(26)22912814(1122)1621317(24)23(16)1012h171214H811H2(H212526)t1214+m1s1
MFCD18246935
ZINC000100193089
Check stock
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Check stock on Vitas-MAvailable files
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