Vitas-M small molecule compound
4-{[(isoquinolin-1-ylsulfanyl)acetyl]amino}benzoic acid
Catalog ID
STL163794
SMILES O=C(Nc1ccc(cc1)C(=O)O)CSc1nccc2c1cccc2
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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 C18H14N2O3S MW 338.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O3S/c21-16(20-14-7-5-13(6-8-14)18(22)23)11-24-17-15-4-2-1-3-12(15)9-10-19-17/h1-10H,11H2,(H,20,21)(H,22,23)InChIKey
DGVJPERBJITBGZ-UHFFFAOYSA-NSynonyms
577761-51-44(((isoquinolin1ylsulfanyl)acetyl)amino)benzoicacid
4((2ISOQUINOLIN1YLSULFANYLACETYL)AMINO)BENZOICACID
4(2ISOQUINOLYLTHIOACETYLAMINO)BENZOICACID
577761514
C1=CC=C2C(=C1)C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)O
InChI=1SC18H14N2O3Sc2116(20147513(6814)18(22)23)11241715421312(15)9101917h110H11H2(H2021)(H2223)
MFCD04000195
ZINC000000529615
ZINC529615
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