Vitas-M small molecule compound
3-[(7-nitro-5-oxo-5H-[1,3]thiazolo[3,2-a]quinazolin-8-yl)sulfanyl]benzoic acid
Catalog ID
STK688386
SMILES [O-][N+](=O)c1cc2c(=O)nc3n(c2cc1Sc1cccc(c1)C(=O)O)ccs3
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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 C17H9N3O5S2 MW 399.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H9N3O5S2/c21-15-11-7-13(20(24)25)14(8-12(11)19-4-5-26-17(19)18-15)27-10-3-1-2-9(6-10)16(22)23/h1-8H,(H,22,23)InChIKey
VOJXHOBRXQVBPT-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc2c(=O)nc3n(c2cc1Sc1cccc(c1)C(=O)O)ccs3
3((7NITRO5OXO(13)THIAZOLO(32A)QUINAZOLIN8YL)SULFANYL)BENZOICACID
3((7nitro5oxo5H(13)thiazolo(32a)quinazolin8yl)sulfanyl)benzoicacid
C1=CC(=CC(=C1)SC2=C(C=C3C(=C2)N4C=CSC4=NC3=O)(N+)(=O)(O))C(=O)O
InChI=1SC17H9N3O5S2c211511713(20(24)25)14(812(11)19452617(19)1815)27103129(610)16(22)23h18H(H2223)
MFCD07657498
ZINC000004709768
ZINC4709768
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