Vitas-M small molecule compound
3-(2,2-dichloroethenyl)-2,2-dimethyl-N-{2,2,2-trichloro-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}cyclopropanecarboxamide
Catalog ID
STL527504
SMILES ClC(=CC1C(C1(C)C)C(=O)NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cl
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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 C21H24Cl5N3O2 MW 527.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24Cl5N3O2/c1-20(2)13(7-15(22)23)17(20)18(31)27-19(21(24,25)26)28-8-11-6-12(10-28)14-4-3-5-16(30)29(14)9-11/h3-5,7,11-13,17,19H,6,8-10H2,1-2H3,(H,27,31)/t11-,12-,13?,17?,19?/m0/s1InChIKey
KUHHFYZRWGDWMX-YUCBOKJPSA-NSynonyms
3(22dichloroethenyl)22dimethylN(222trichloro1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)cyclopropanecarboxamide
3(22dichlorovinyl)22dimethylN(222trichloro1((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)cyclopropanecarboxamide
ClC(=CC1C(C1(C)C)C(=O)NC(C(Cl)(Cl)Cl)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)Cl
InChI=1SC21H24Cl5N3O2c120(2)13(715(22)23)17(20)18(31)2719(21(2425)26)28811612(1028)1443516(30)29(14)911h35711131719H6810H212H3(H2731)t111213?17?19?m0s1
MFCD03659970
ZINC000070673071
ZINC000072332833
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