Vitas-M small molecule compound
2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}benzoic acid
Catalog ID
STK806581
SMILES Cc1ccc(cc1)C(=O)CSc1ccccc1C(=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 C16H14O3S MW 286.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14O3S/c1-11-6-8-12(9-7-11)14(17)10-20-15-5-3-2-4-13(15)16(18)19/h2-9H,10H2,1H3,(H,18,19)InChIKey
DEEGCOZZZOJFEJ-UHFFFAOYSA-NSynonyms
2((2(4methylphenyl)2oxoethyl)sulfanyl)benzoicacid
2((2(4METHYLPHENYL)2OXOETHYL)THIO)BENZOICACID
2((2KETO2(PTOLYL)ETHYL)THIO)BENZOICACID
2((2OXO2(PTOLYL)ETHYL)THIO)BENZOICACID
2(2(4METHYLPHENYL)2OXIDANYLIDENEETHYL)SULFANYLBENZOICACID
2(2(4METHYLPHENYL)2OXOETHYL)SULFANYLBENZOICACID
2(2(4METHYLPHENYL)2OXOETHYLTHIO)BENZOICACID
CC1=CC=C(C=C1)C(=O)CSC2=CC=CC=C2C(=O)O
InChI=1SC16H14O3Sc1116812(9711)14(17)102015532413(15)16(18)19h29H10H21H3(H1819)
MFCD01166059
ZINC000004070870
ZINC4070870
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