Vitas-M small molecule compound
3,4-difluoro-N-{[(1R,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
STK328776
SMILES S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)c1ccc(c(c1)F)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 C19H17F2N3O2S MW 389.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17F2N3O2S/c20-14-5-4-12(7-15(14)21)18(26)22-19(27)23-8-11-6-13(10-23)16-2-1-3-17(25)24(16)9-11/h1-5,7,11,13H,6,8-10H2,(H,22,26,27)/t11-,13+/m0/s1InChIKey
XPEUTNRETWJMQH-WCQYABFASA-NSynonyms
34difluoroN(((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)benzamide
34difluoroN((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbonothioyl)benzamide
C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=S)NC(=O)C4=CC(=C(C=C4)F)F
InChI=1SC19H17F2N3O2Sc20145412(715(14)21)18(26)2219(27)23811613(1023)1621317(25)24(16)911h1571113H6810H2(H222627)t1113+m1s1
MFCD06017813
S=C(N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)NC(=O)c1ccc(c(c1)F)F
S=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)NC(=O)c1ccc(c(c1)F)F
ZINC000100201795
ZINC02145575
ZINC2145575
Check stock
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Check stock on Vitas-MAvailable files
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