Vitas-M small molecule compound
(2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]ethanamide
Catalog ID
STL181419
SMILES N#C/C(=C\1/Sc2c(O1)c(cc(c2)O)c1ccc(cc1)[N+](=O)[O-])/C(=O)N
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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 C16H9N3O5S MW 355.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9N3O5S/c17-7-12(15(18)21)16-24-14-11(5-10(20)6-13(14)25-16)8-1-3-9(4-2-8)19(22)23/h1-6,20H,(H2,18,21)/b16-12-InChIKey
BZVHWPKATSXWLL-VBKFSLOCSA-NSynonyms
496799-36-1(2Z)2CYANO2(5HYDROXY7(4NITROPHENYL)13BENZOXATHIOL2YLIDENE)ACETAMIDE
(2Z)2cyano2(5hydroxy7(4nitrophenyl)13benzoxathiol2ylidene)ethanamide
(Z)2cyano2(5hydroxy7(4nitrophenyl)benzo(d)(13)oxathiol2ylidene)acetamide
C1=CC(=CC=C1C2=CC(=CC3=C2OC(=C(C#N)C(=O)N)S3)O)(N+)(=O)(O)
N#CC(=C1Sc2c(O1)c(cc(c2)O)c1ccc(cc1)(N+)(=O)(O))C(=O)N
Registry IDs
MFCD03299117ZINC000013596701
ZINC13596701
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