Vitas-M small molecule compound

(1S,2R,5S,6R)-1-hydroxy-7-nitro-3,11-dioxa-9-azatricyclo[4.3.1.1~2,5~]undecan-8-one

Catalog ID
STK668154
SMILES O=C1N[C@]2(O)C[C@H]([C@@H]1[N+](=O)[O-])[C@@H]1O[C@H]2OC1

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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 C8H10N2O6 MW 230.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H10N2O6/c11-6-5(10(13)14)3-1-8(12,9-6)7-15-2-4(3)16-7/h3-5,7,12H,1-2H2,(H,9,11)/t3-,4+,5-,7+,8-/m0/s1
InChIKey
WXPGMTQUBGOTCO-MJQHXVAXSA-N
Synonyms

(1S2R5S6R)1hydroxy7nitro311dioxa9azatricyclo(4311~25~)undecan8one
C1C2C3COC(C1(NC(=O)C2(N+)(=O)(O))O)O3
InChI=1SC8H10N2O6c1165(10(13)14)318(1296)71524(3)167h35712H12H2(H911)t34+57+8m0s1
MFCD18246820
O=C1N(C@)2(O)C(C@H)((C@@H)1(N+)(=O)(O))(C@@H)1O(C@H)2OC1
ZINC000004125142
ZINC04125142
ZINC4125142

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Available files

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