Vitas-M small molecule compound
3-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}benzoic acid
Catalog ID
STK699480
SMILES Cc1ccnc(n1)SCc1cccc(c1)C(=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 C13H12N2O2S MW 260.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N2O2S/c1-9-5-6-14-13(15-9)18-8-10-3-2-4-11(7-10)12(16)17/h2-7H,8H2,1H3,(H,16,17)InChIKey
VURXFXRVBVKXIE-UHFFFAOYSA-NSynonyms
679414-38-13(((4methylpyrimidin2yl)sulfanyl)methyl)benzoicacid
3(((4methylpyrimidin2yl)thio)methyl)benzoicacid
3((4METHYLPYRIMIDIN2YL)SULFANYLMETHYL)BENZOICACID
3(4METHYLPYRIMIDIN2YLSULFANYLMETHYL)BENZOICACID
679414381
CC1=NC(=NC=C1)SCC2=CC=CC(=C2)C(=O)O
InChI=1SC13H12N2O2Sc19561413(159)1881032411(710)12(16)17h27H8H21H3(H1617)
MFCD04014181
ZINC000000527079
ZINC527079
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