Vitas-M small molecule compound
5,5-dimethyl-2-[(4-nitrophenyl)sulfanyl]-3-oxocyclohex-1-en-1-yl 4-fluorobenzoate
Catalog ID
STL328430
SMILES Fc1ccc(cc1)C(=O)OC1=C(Sc2ccc(cc2)[N+](=O)[O-])C(=O)CC(C1)(C)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 C21H18FNO5S MW 415.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FNO5S/c1-21(2)11-17(24)19(29-16-9-7-15(8-10-16)23(26)27)18(12-21)28-20(25)13-3-5-14(22)6-4-13/h3-10H,11-12H2,1-2H3InChIKey
RBJYGXLKCBYFJN-UHFFFAOYSA-NSynonyms
(55DIMETHYL2(4NITROPHENYL)SULFANYL3OXOCYCLOHEXEN1YL)4FLUOROBENZOATE
55dimethyl2((4nitrophenyl)sulfanyl)3oxocyclohex1en1yl4fluorobenzoate
55DIMETHYL2((4NITROPHENYL)THIO)3OXOCYCLOHEX1EN1YL4FLUOROBENZOATE
CC1(CC(=C(C(=O)C1)SC2=CC=C(C=C2)(N+)(=O)(O))OC(=O)C3=CC=C(C=C3)F)C
Fc1ccc(cc1)C(=O)OC1=C(Sc2ccc(cc2)(N+)(=O)(O))C(=O)CC(C1)(C)C
InChI=1SC21H18FNO5Sc121(2)1117(24)19(29169715(81016)23(26)27)18(1221)2820(25)133514(22)6413h310H1112H212H3
MFCD00838563
ZINC000001037086
ZINC01037086
ZINC1037086
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