Vitas-M small molecule compound
(1S,5R)-3-[4-(6-methoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanoyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL550080
SMILES COc1ccc2n(n1)c(CCCC(=O)N1C[C@H]3C[C@@H](C1)C1N(C3)C(=O)CCC1)nn2
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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 C21H28N6O3 MW 412.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N6O3/c1-30-19-9-8-18-23-22-17(27(18)24-19)5-3-6-20(28)25-11-14-10-15(13-25)16-4-2-7-21(29)26(16)12-14/h8-9,14-16H,2-7,10-13H2,1H3/t14-,15+,16?/m1/s1InChIKey
SXDSXGKKTLDYGX-YSPPHNQVSA-NSynonyms
(1~(S)9~(R))11(4(6methoxy(124)triazolo(43b)pyridazin3yl)butanoyl)711diazatricyclo(7310^(27))tridecan6one
(1R5S)3(4(6methoxy(124)triazolo(43b)pyridazin3yl)butanoyl)octahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(4(6methoxy(124)triazolo(43b)pyridazin3yl)butanoyl)decahydro8H15methanopyrido(12a)(15)diazocin8one
135639873
COc1ccc2n(n1)c(CCCC(=O)N1C(C@@H)3C(C@@H)(C1)(C@@H)1N(C3)C(=O)CCC1)nn2
InChI=1SC21H28N6O3c130199818232217(27(18)2419)53620(28)2511141015(1325)1642721(29)26(16)1214h891416H271013H21H3t1415+16?m1s1
ZINC000583652720
ZINC000583652721
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