Vitas-M small molecule compound
2-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 3,4,5-trimethoxybenzoate
Catalog ID
STK384823
SMILES COc1cc(cc(c1OC)OC)C(=O)Oc1ccccc1C1N=C(O)c2c(N1)sc1c2CCC(C1)C
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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 C27H28N2O6S MW 508.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O6S/c1-14-9-10-17-21(11-14)36-26-22(17)25(30)28-24(29-26)16-7-5-6-8-18(16)35-27(31)15-12-19(32-2)23(34-4)20(13-15)33-3/h5-8,12-14,24,29H,9-11H2,1-4H3,(H,28,30)InChIKey
PTFBDRCAIXECAM-UHFFFAOYSA-NSynonyms
(2(7methyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)345trimethoxybenzoate
2(4hydroxy7methyl125678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenyl345trimethoxybenzoate
CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=CC=C4OC(=O)C5=CC(=C(C(=C5)OC)OC)OC
InChI=1SC27H28N2O6Sc1149101721(1114)362622(17)25(30)2824(2926)16756818(16)3527(31)151219(322)23(344)20(1315)333h5812142429H911H214H3(H2830)
MFCD11853287
ZINC000015947543
ZINC000015947549
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