Vitas-M small molecule compound
(1R,5S)-3-{[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]carbonyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL546576
SMILES ClC(=CC1C(C1(C)C)C(=O)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 C19H22Cl2N2O2 MW 381.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22Cl2N2O2/c1-19(2)13(7-15(20)21)17(19)18(25)22-8-11-6-12(10-22)14-4-3-5-16(24)23(14)9-11/h3-5,7,11-13,17H,6,8-10H2,1-2H3/t11-,12+,13?,17?/m0/s1InChIKey
ZIFAXEHLCCOZFX-IWZJZLAVSA-NSynonyms
(1~(R)9~(S))11(3(22dichloroethenyl)22dimethylcyclopropanecarbonyl)711diazatricyclo(7310^(27))trideca24dien6one
(1R5S)3((3(22dichloroethenyl)22dimethylcyclopropyl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(1R5S)3(3(22dichlorovinyl)22dimethylcyclopropanecarbonyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
16399891
ClC(=CC1C(C1(C)C)C(=O)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)Cl
InChI=1SC19H22Cl2N2O2c119(2)13(715(20)21)17(19)18(25)22811612(1022)1443516(24)23(14)911h357111317H6810H212H3t1112+13?17?m0s1
MFCD02059267
ZINC000002105565
ZINC000002105569
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