Vitas-M small molecule compound

N-{3-[(4-fluorophenyl)sulfonyl]propanoyl}-beta-alanine

Catalog ID
STK641222
SMILES O=C(CCS(=O)(=O)c1ccc(cc1)F)NCCC(=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 C12H14FNO5S MW 303.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14FNO5S/c13-9-1-3-10(4-2-9)20(18,19)8-6-11(15)14-7-5-12(16)17/h1-4H,5-8H2,(H,14,15)(H,16,17)
InChIKey
ZEDLYGQGEOSKNE-UHFFFAOYSA-N
Synonyms
1010878-27-9
1010878279
3(3((4fluorophenyl)sulfonyl)propanamido)propanoicacid
3(3(4fluorophenyl)sulfonylpropanoylamino)propanoicacid
C1=CC(=CC=C1F)S(=O)(=O)CCC(=O)NCCC(=O)O
InChI=1SC12H14FNO5Sc1391310(429)20(1819)8611(15)147512(16)17h14H58H2(H1415)(H1617)
MFCD12199029
N(3((4fluorophenyl)sulfonyl)propanoyl)betaalanine
ZINC000012321106
ZINC12321106

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.