Vitas-M small molecule compound
(1S,5R)-3-{[2-(4H-1,2,4-triazol-4-yl)phenoxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL551312
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)COc1ccccc1n1cnnc1
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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 C21H21N5O3 MW 391.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3/c27-20-7-3-5-17-16-8-15(10-26(17)20)9-24(11-16)21(28)12-29-19-6-2-1-4-18(19)25-13-22-23-14-25/h1-7,13-16H,8-12H2/t15-,16+/m1/s1InChIKey
NEJYDICJCHUEOD-CVEARBPZSA-NSynonyms
(1~(S)9~(R))11(2(2(124triazol4yl)phenoxy)acetyl)711diazatricyclo(7310^(27))trideca24dien6one
(1R5S)3(2(2(4H124triazol4yl)phenoxy)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((2(4H124triazol4yl)phenoxy)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
127253084
InChI=1SC21H21N5O3c27207351716815(1026(17)20)924(1116)21(28)122919621418(19)251322231425h171316H812H2t1516+m1s1
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)COc1ccccc1n1cnnc1
ZINC000604405210
ZINC604405210
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