Vitas-M small molecule compound
4-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl thiophene-2-carboxylate
Catalog ID
STK746071
SMILES CN1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(cc1)OC(=O)c1cccs1)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 C21H19N3O3S2 MW 425.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O3S2/c1-24-9-8-14-16(11-24)29-20-17(14)19(25)22-18(23-20)12-4-6-13(7-5-12)27-21(26)15-3-2-10-28-15/h2-7,10,18,23H,8-9,11H2,1H3,(H,22,25)InChIKey
NMECJSGEUJSGGT-UHFFFAOYSA-NSynonyms
353463-01-1(4(7methyl4oxo123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)thiophene2carboxylate
353463011
4(4hydroxy7methyl125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)phenylthiophene2carboxylate
CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)OC(=O)C5=CC=CS5
InChI=1SC21H19N3O3S2c124981416(1124)292017(14)19(25)2218(2320)124613(7512)2721(26)1532102815h27101823H8911H21H3(H2225)
MFCD03801718
ZINC000004587012
ZINC000008838279
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