Vitas-M small molecule compound
ethyl 4-{[({6-[3-(cyclopropylcarbamoyl)-1H-pyrazol-1-yl]pyrimidin-4-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STL083975
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1ncnc(c1)n1ccc(n1)C(=O)NC1CC1
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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 C22H22N6O4S MW 466.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O4S/c1-2-32-22(31)14-3-5-15(6-4-14)25-19(29)12-33-20-11-18(23-13-24-20)28-10-9-17(27-28)21(30)26-16-7-8-16/h3-6,9-11,13,16H,2,7-8,12H2,1H3,(H,25,29)(H,26,30)InChIKey
IXTDHFHYHYISJA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3C=CC(=N3)C(=O)NC4CC4
ethyl4((((6(3(cyclopropylcarbamoyl)1Hpyrazol1yl)pyrimidin4yl)sulfanyl)acetyl)amino)benzoate
ethyl4((2(6(3(cyclopropylcarbamoyl)pyrazol1yl)pyrimidin4yl)sulfanylacetyl)amino)benzoate
InChI=1SC22H22N6O4Sc123222(31)143515(6414)2519(29)1233201118(23132420)2810917(2728)21(30)26167816h369111316H27812H21H3(H2529)(H2630)
MFCD18202545
ZINC000057520137
ZINC57520137
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