Vitas-M small molecule compound

propan-2-yl 4,4,4-trifluoro-2-(1-hydroxy-4-{[(4-methoxy-3-nitrophenyl)sulfonyl]amino}naphthalen-2-yl)-3-oxobutanoate

Catalog ID
STK236177
SMILES COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Nc1cc(c(c2c1cccc2)O)C(C(=O)C(F)(F)F)C(=O)OC(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 C24H21F3N2O9S MW 570.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21F3N2O9S/c1-12(2)38-23(32)20(22(31)24(25,26)27)16-11-17(14-6-4-5-7-15(14)21(16)30)28-39(35,36)13-8-9-19(37-3)18(10-13)29(33)34/h4-12,20,28,30H,1-3H3
InChIKey
RPOAYPCQMNBHMQ-UHFFFAOYSA-N
Synonyms

CC(C)OC(=O)C(C1=C(C2=CC=CC=C2C(=C1)NS(=O)(=O)C3=CC(=C(C=C3)OC)(N+)(=O)(O))O)C(=O)C(F)(F)F
COc1ccc(cc1(N+)(=O)(O))S(=O)(=O)Nc1cc(c(c2c1cccc2)O)C(C(=O)C(F)(F)F)C(=O)OC(C)C
InChI=1SC24H21F3N2O9Sc112(2)3823(32)20(22(31)24(2526)27)161117(14645715(14)21(16)30)2839(3536)138919(373)18(1013)29(33)34h412202830H13H3
MFCD04211970
PROPAN2YL444TRIFLUORO2(1HYDROXY4(((4METHOXY3NITROPHENYL)SULFONYL)AMINO)NAPHTHALEN2YL)3OXOBUTANOATE
PROPAN2YL444TRIFLUORO2(1HYDROXY4((4METHOXY3NITROPHENYL)SULFONYLAMINO)NAPHTHALEN2YL)3OXOBUTANOATE
ZINC000101028115
ZINC000101028117

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Available files

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