Vitas-M small molecule compound
9-nitro-3-(thiophen-2-ylacetyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL511727
SMILES O=C(N1CC2CC(C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-])Cc1cccs1
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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 C17H17N3O4S MW 359.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O4S/c21-16(7-13-2-1-5-25-13)18-8-11-6-12(10-18)14-3-4-15(20(23)24)17(22)19(14)9-11/h1-5,11-12H,6-10H2InChIKey
IFMJMHCQDNKBOR-UHFFFAOYSA-NSynonyms
(1R5S)9nitro3(2(thiophen2yl)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
135638067
5nitro11(2thiophen2ylacetyl)711diazatricyclo(7310^(27))trideca24dien6one
9nitro3(thiophen2ylacetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC17H17N3O4Sc2116(7132152513)18811612(1018)143415(20(23)24)17(22)19(14)911h151112H610H2
MFCD31751803
O=C(N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)c(cc1)(N+)(=O)(O))Cc1cccs1
ZINC001083103403
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