Vitas-M small molecule compound
(2Z)-2-(3-ethoxy-2-hydroxy-5-nitrobenzylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STK115042
SMILES CCOc1cc(cc(c1O)/C=c/1\sc2n(c1=O)c1c(n2)cccc1)[N+](=O)[O-]
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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 C18H13N3O5S MW 383.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O5S/c1-2-26-14-9-11(21(24)25)7-10(16(14)22)8-15-17(23)20-13-6-4-3-5-12(13)19-18(20)27-15/h3-9,22H,2H2,1H3/b15-8-InChIKey
OSKODLUCUAIYIU-NVNXTCNLSA-NSynonyms
(2Z)2((3ETHOXY2HYDROXY5NITROPHENYL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
(2Z)2(3ETHOXY2HYDROXY5NITROBENZYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL3(2H)ONE
CCOC1=C(C(=CC(=C1)(N+)(=O)(O))C=C2C(=O)N3C4=CC=CC=C4N=C3S2)O
CCOc1cc(cc(c1O)C=c1sc2n(c1=O)c1c(n2)cccc1)(N+)(=O)(O)
InChI=1SC18H13N3O5Sc122614911(21(24)25)710(16(14)22)81517(23)2013643512(13)1918(20)2715h3922H2H21H3b158
MFCD03241129
ZINC000004678178
ZINC4678178
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