Vitas-M small molecule compound
2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)sulfanyl]-3-phenylpropanoic acid
Catalog ID
STL120450
SMILES OC(=O)C(SC1OC(=O)c2c1cccc2)Cc1ccccc1
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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 C17H14O4S MW 314.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14O4S/c18-15(19)14(10-11-6-2-1-3-7-11)22-17-13-9-5-4-8-12(13)16(20)21-17/h1-9,14,17H,10H2,(H,18,19)InChIKey
MJYYBSOPSYZNSJ-UHFFFAOYSA-NSynonyms
2((3oxo13dihydro2benzofuran1yl)sulfanyl)3phenylpropanoicacid
2((3oxo1H2benzofuran1yl)sulfanyl)3phenylpropanoicacid
2(3OXOHYDROISOBENZOFURANYLTHIO)3PHENYLPROPANOICACID
C1=CC=C(C=C1)CC(C(=O)O)SC2C3=CC=CC=C3C(=O)O2
InChI=1SC17H14O4Sc1815(19)14(10116213711)221713954812(13)16(20)2117h191417H10H2(H1819)
MFCD10081931
ZINC000012274225
ZINC000012274228
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