Vitas-M small molecule compound
methyl 3-[({[7-(3-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL144374
SMILES COC(=O)c1cccc(c1)NC(=O)CSc1ncnc2c1[nH]cc2c1cccc(c1)F
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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 C22H17FN4O3S MW 436.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17FN4O3S/c1-30-22(29)14-5-3-7-16(9-14)27-18(28)11-31-21-20-19(25-12-26-21)17(10-24-20)13-4-2-6-15(23)8-13/h2-10,12,24H,11H2,1H3,(H,27,28)InChIKey
WRBCMDAHIDBOFR-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2NC=C3C4=CC(=CC=C4)F
COC(=O)c1cccc(c1)NC(=O)CSc1ncnc2c1(nH)cc2c1cccc(c1)F
InChI=1SC22H17FN4O3Sc13022(29)1453716(914)2718(28)1131212019(25122621)17(102420)1342615(23)813h2101224H11H21H3(H2728)
methyl3((((7(3fluorophenyl)5Hpyrrolo(32d)pyrimidin4yl)sulfanyl)acetyl)amino)benzoate
METHYL3((((7(3FLUOROPHENYL)5HPYRROLO(32D)PYRIMIDIN4YL)THIO)ACETYL)AMINO)BENZOATE
methyl3((2((7(3fluorophenyl)5Hpyrrolo(32d)pyrimidin4yl)sulfanyl)acetyl)amino)benzoate
MFCD20750631
ZINC000065113697
ZINC65113697
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