Vitas-M small molecule compound
2-({4-hydroxy-6-oxo-5-[(2E)-3-phenylprop-2-en-1-yl]-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
Catalog ID
STK298799
SMILES COc1ccc(cc1)NC(=O)CSc1nc(O)c(c(=O)[nH]1)C/C=C/c1ccccc1
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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 C22H21N3O4S MW 423.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4S/c1-29-17-12-10-16(11-13-17)23-19(26)14-30-22-24-20(27)18(21(28)25-22)9-5-8-15-6-3-2-4-7-15/h2-8,10-13H,9,14H2,1H3,(H,23,26)(H2,24,25,27,28)/b8-5+InChIKey
HGIXQTKSJFREKE-VMPITWQZSA-NSynonyms
2((4HYDROXY6OXO5((2E)3PHENYLPROP2EN1YL)16DIHYDROPYRIMIDIN2YL)SULFANYL)N(4METHOXYPHENYL)ACETAMIDE
2((4HYDROXY6OXO5((E)3PHENYLPROP2ENYL)1HPYRIMIDIN2YL)SULFANYL)N(4METHOXYPHENYL)ACETAMIDE
COC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)CC=CC3=CC=CC=C3)O
COc1ccc(cc1)NC(=O)CSc1nc(O)c(c(=O)(nH)1)CC=Cc1ccccc1
InChI=1SC22H21N3O4Sc12917121016(111317)2319(26)1430222420(27)18(21(28)2522)958156324715h281013H914H21H3(H2326)(H224252728)b85+
MFCD04209116
ZINC000001163252
ZINC1163252
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