Vitas-M small molecule compound
3-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl thiophene-2-carboxylate
Catalog ID
STK384847
SMILES CC1CCc2c(C1)sc1c2C(=NC(N1)c1cccc(c1)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 C22H20N2O3S2 MW 424.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O3S2/c1-12-7-8-15-17(10-12)29-21-18(15)20(25)23-19(24-21)13-4-2-5-14(11-13)27-22(26)16-6-3-9-28-16/h2-6,9,11-12,19,24H,7-8,10H2,1H3,(H,23,25)InChIKey
VBNCUZIHZUJHJH-UHFFFAOYSA-NSynonyms
(3(7methyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)thiophene2carboxylate
3(4hydroxy7methyl125678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenylthiophene2carboxylate
CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=CC=C4)OC(=O)C5=CC=CS5
InChI=1SC22H20N2O3S2c112781517(1012)292118(15)20(25)2319(2421)1342514(1113)2722(26)166392816h26911121924H7810H21H3(H2325)
MFCD11853311
ZINC000015947647
ZINC000015947653
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