Vitas-M small molecule compound
4-(7-ethyl-4-hydroxy-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 4-tert-butylbenzoate
Catalog ID
STK384706
SMILES CCN1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(cc1)OC(=O)c1ccc(cc1)C(C)(C)C)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 C28H31N3O3S MW 489.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O3S/c1-5-31-15-14-21-22(16-31)35-26-23(21)25(32)29-24(30-26)17-8-12-20(13-9-17)34-27(33)18-6-10-19(11-7-18)28(2,3)4/h6-13,24,30H,5,14-16H2,1-4H3,(H,29,32)InChIKey
CDRVPNUYPZEOAP-UHFFFAOYSA-NSynonyms
(4(7ethyl4oxo123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)4tertbutylbenzoate
4(7ethyl4hydroxy125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)phenyl4tertbutylbenzoate
CCN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)C(C)(C)C
InChI=1SC28H31N3O3Sc153115142122(1631)352623(21)25(32)2924(3026)1781220(13917)3427(33)1861019(11718)28(23)4h6132430H51416H214H3(H2932)
MFCD05661554
ZINC000015947241
ZINC000015947243
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