Vitas-M small molecule compound
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
STK693716
SMILES COCc1cc(C)nc2c1c1NC(NC(=O)c1s2)c1c([nH]c2c1cccc2)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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-9-7-10(8-29-2)13-15-17(30-20(13)22-9)19(26)25-18(24-15)14-11-5-3-4-6-12(11)23-16(14)21(27)28/h3-7,18,23-24H,8H2,1-2H3,(H,25,26)(H,27,28)InChIKey
GXZRBYQHQHOPHK-UHFFFAOYSA-NSynonyms
3(9(methoxymethyl)7methyl4oxo1234tetrahydropyrido(3245)thieno(32d)pyrimidin2yl)1Hindole2carboxylicacid
3(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=CC=C54)C(=O)O
COCc1cc(C)nc2c1c1NC(NC(=O)c1s2)c1c((nH)c2c1cccc2)C(=O)O
InChI=1SC21H18N4O4Sc19710(8292)131517(3020(13)229)19(26)2518(2415)1411534612(11)2316(14)21(27)28h37182324H8H212H3(H2526)(H2728)
MFCD12033804
ZINC000015107960
ZINC000015107962
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