Vitas-M small molecule compound
4-[4-hydroxy-7-(propan-2-yl)-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]phenyl 4-tert-butylbenzoate
Catalog ID
STK384500
SMILES CC(N1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(cc1)OC(=O)c1ccc(cc1)C(C)(C)C)O)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 C29H33N3O3S MW 503.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O3S/c1-17(2)32-15-14-22-23(16-32)36-27-24(22)26(33)30-25(31-27)18-8-12-21(13-9-18)35-28(34)19-6-10-20(11-7-19)29(3,4)5/h6-13,17,25,31H,14-16H2,1-5H3,(H,30,33)InChIKey
AJSIBJJWQSSBCN-UHFFFAOYSA-NSynonyms
(4(4oxo7propan2yl123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)4tertbutylbenzoate
4(4hydroxy7(propan2yl)125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)phenyl4tertbutylbenzoate
CC(C)N1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)C(C)(C)C
InChI=1SC29H33N3O3Sc117(2)3215142223(1632)362724(22)26(33)3025(3127)1881221(13918)3528(34)1961020(11719)29(34)5h613172531H1416H215H3(H3033)
MFCD04042173
ZINC000008927613
ZINC000008927615
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