Vitas-M small molecule compound
5,6-dimethoxy-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
STK693737
SMILES COCc1cc(C)nc2c1c1NC(NC(=O)c1s2)c1c([nH]c2c1cc(OC)c(c2)OC)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 C23H22N4O6S MW 482.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O6S/c1-9-5-10(8-31-2)15-17-19(34-22(15)24-9)21(28)27-20(26-17)16-11-6-13(32-3)14(33-4)7-12(11)25-18(16)23(29)30/h5-7,20,25-26H,8H2,1-4H3,(H,27,28)(H,29,30)InChIKey
SJYJKNJONZPYJA-UHFFFAOYSA-NSynonyms
56dimethoxy3(9(methoxymethyl)7methyl4oxo1234tetrahydropyrido(3245)thieno(32d)pyrimidin2yl)1Hindole2carboxylicacid
56dimethoxy3(9(methoxymethyl)7methyl4oxo23dihydro1Hpyrido(12)thieno(34d)pyrimidin2yl)1Hindole2carboxylicacid
CC1=NC2=C(C(=C1)COC)C3=C(S2)C(=O)NC(N3)C4=C(NC5=CC(=C(C=C54)OC)OC)C(=O)O
COCc1cc(C)nc2c1c1NC(NC(=O)c1s2)c1c((nH)c2c1cc(OC)c(c2)OC)C(=O)O
InChI=1SC23H22N4O6Sc19510(8312)151719(3422(15)249)21(28)2720(2617)1611613(323)14(334)712(11)2518(16)23(29)30h57202526H8H214H3(H2728)(H2930)
MFCD12033825
ZINC000015108028
ZINC000015108031
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