Vitas-M small molecule compound
6-(2-chloro-4-nitrophenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate
Catalog ID
STK769072
SMILES O=c1sc2c(o1)cc(c(c2)OC(=O)c1ccccc1)c1ccc(cc1Cl)[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 C20H10ClNO6S MW 427.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H10ClNO6S/c21-15-8-12(22(25)26)6-7-13(15)14-9-17-18(29-20(24)28-17)10-16(14)27-19(23)11-4-2-1-3-5-11/h1-10HInChIKey
PSUHTARNVDTCLC-UHFFFAOYSA-NSynonyms
(6(2CHLORO4NITROPHENYL)2OXO13BENZOXATHIOL5YL)BENZOATE
6(2chloro4nitrophenyl)2oxo13benzoxathiol5ylbenzoate
6(2CHLORO4NITROPHENYL)2OXOBENZO(34D)13OXATHIOLAN5YLBENZOATE
C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2C4=C(C=C(C=C4)(N+)(=O)(O))Cl)OC(=O)S3
InChI=1SC20H10ClNO6Sc2115812(22(25)26)6713(15)1491718(2920(24)2817)1016(14)2719(23)114213511h110H
MFCD03408396
O=c1sc2c(o1)cc(c(c2)OC(=O)c1ccccc1)c1ccc(cc1Cl)(N+)(=O)(O)
ZINC000003620517
ZINC03620517
ZINC3620517
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