Vitas-M small molecule compound

3-acetylphenyl 2-[(4-nitrophenyl)sulfanyl]benzoate

Catalog ID
STK388287
SMILES O=C(c1ccccc1Sc1ccc(cc1)[N+](=O)[O-])Oc1cccc(c1)C(=O)C

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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 C21H15NO5S MW 393.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15NO5S/c1-14(23)15-5-4-6-17(13-15)27-21(24)19-7-2-3-8-20(19)28-18-11-9-16(10-12-18)22(25)26/h2-13H,1H3
InChIKey
DYSYFLMQQUMHMF-UHFFFAOYSA-N
Synonyms
519041-70-4
(3ACETYLPHENYL)2(4NITROPHENYL)SULFANYLBENZOATE
3ACETYLPHENYL2((4NITROPHENYL)SULFANYL)BENZOATE
3ACETYLPHENYL2(4NITROPHENYLTHIO)BENZOATE
519041704
CC(=O)C1=CC(=CC=C1)OC(=O)C2=CC=CC=C2SC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC21H15NO5Sc114(23)1554617(1315)2721(24)19723820(19)281811916(101218)22(25)26h213H1H3
MFCD03164424
O=C(c1ccccc1Sc1ccc(cc1)(N+)(=O)(O))Oc1cccc(c1)C(=O)C
ZINC000001146636
ZINC01146636
ZINC1146636

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Available files

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