Vitas-M small molecule compound
5-methoxy-3-[9-(methoxymethyl)-7-methyl-4-oxo-1,2,3,4-tetrahydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxylic acid
Catalog ID
STK693736
SMILES COCc1cc(C)nc2c1c1NC(NC(=O)c1s2)c1c([nH]c2c1cc(OC)cc2)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 C22H20N4O5S MW 452.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O5S/c1-9-6-10(8-30-2)14-16-18(32-21(14)23-9)20(27)26-19(25-16)15-12-7-11(31-3)4-5-13(12)24-17(15)22(28)29/h4-7,19,24-25H,8H2,1-3H3,(H,26,27)(H,28,29)InChIKey
SNJYXEVJHDHQLR-UHFFFAOYSA-NSynonyms
5methoxy3(9(methoxymethyl)7methyl4oxo1234tetrahydropyrido(3245)thieno(32d)pyrimidin2yl)1Hindole2carboxylicacid
5methoxy3(9(methoxymethyl)7methyl4oxo23dihydro1Hpyrido(12)thieno(34d)pyrimidin2yl)1Hindole2carboxylicacid
CC1=NC2=C(C(=C1)COC)C3=C(S2)C(=O)NC(N3)C4=C(NC5=C4C=C(C=C5)OC)C(=O)O
COCc1cc(C)nc2c1c1NC(NC(=O)c1s2)c1c((nH)c2c1cc(OC)cc2)C(=O)O
InChI=1SC22H20N4O5Sc19610(8302)141618(3221(14)239)20(27)2619(2516)1512711(313)4513(12)2417(15)22(28)29h47192425H8H213H3(H2627)(H2829)
MFCD12033824
ZINC000015108022
ZINC000015108025
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