Vitas-M small molecule compound
2,3,4,6-tetra-O-acetyl-N-[(3-nitrophenyl)carbamothioyl]-beta-D-glucopyranosylamine
Catalog ID
STL507301
SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2cccc(c2)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
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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 C21H25N3O11S MW 527.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O11S/c1-10(25)31-9-16-17(32-11(2)26)18(33-12(3)27)19(34-13(4)28)20(35-16)23-21(36)22-14-6-5-7-15(8-14)24(29)30/h5-8,16-20H,9H2,1-4H3,(H2,22,23,36)/t16-,17-,18+,19-,20-/m1/s1InChIKey
NVTQIDGQWGPKMN-OUUBHVDSSA-NSynonyms
((2~(R)3~(R)4~(S)5~(R)6~(R))345triacetyloxy6((3nitrophenyl)carbamothioylamino)oxan2yl)methylacetate
132452243
2346tetraOacetylN((3nitrophenyl)carbamothioyl)betaDglucopyranosylamine
InChI=1SC21H25N3O11Sc110(25)3191617(3211(2)26)18(3312(3)27)19(3413(4)28)20(3516)2321(36)221465715(814)24(29)30h581620H9H214H3(H2222336)t161718+1920m1s1
MFCD00636679
ZINC001505840670
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