Vitas-M small molecule compound
(1S,5R)-9-nitro-3-{[4-(1H-tetrazol-1-ylmethyl)phenyl]carbonyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL550790
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-])c1ccc(cc1)Cn1cnnn1
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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 C20H19N7O4 MW 421.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N7O4/c28-19(15-3-1-13(2-4-15)9-25-12-21-22-23-25)24-8-14-7-16(11-24)17-5-6-18(27(30)31)20(29)26(17)10-14/h1-6,12,14,16H,7-11H2/t14-,16+/m0/s1InChIKey
YRYIHJYVADVQDZ-GOEBONIOSA-NSynonyms
(1R5S)3(4((1Htetrazol1yl)methyl)benzoyl)9nitro3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)9nitro3((4(1Htetrazol1ylmethyl)phenyl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC20H19N7O4c2819(153113(2415)9251221222325)24814716(1124)175618(27(30)31)20(29)26(17)1014h16121416H711H2t1416+m0s1
O=C(N1C(C@H)2C(C@H)(C1)c1n(C2)c(=O)c(cc1)(N+)(=O)(O))c1ccc(cc1)Cn1cnnn1
ZINC000583652727
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