Vitas-M small molecule compound

2-oxo-7-phenyl-1,3-benzoxathiol-5-yl 4-nitrobenzoate

Catalog ID
STK378522
SMILES O=c1oc2c(s1)cc(cc2c1ccccc1)OC(=O)c1ccc(cc1)[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 C20H11NO6S MW 393.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H11NO6S/c22-19(13-6-8-14(9-7-13)21(24)25)26-15-10-16(12-4-2-1-3-5-12)18-17(11-15)28-20(23)27-18/h1-11H
InChIKey
ALXSEFPKSKHEBE-UHFFFAOYSA-N
Synonyms

(2OXO7PHENYL13BENZOXATHIOL5YL)4NITROBENZOATE
2oxo7phenyl13benzoxathiol5yl4nitrobenzoate
2OXO7PHENYLBENZO(34D)13OXATHIOLAN5YL4NITROBENZOATE
C1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC20H11NO6Sc2219(136814(9713)21(24)25)26151016(124213512)1817(1115)2820(23)2718h111H
MFCD01918022
O=c1oc2c(s1)cc(cc2c1ccccc1)OC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000001188789
ZINC01188789
ZINC1188789

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Available files

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