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 3,4,5-trimethoxybenzoate
Catalog ID
STK384294
SMILES COc1cc(cc(c1OC)OC)C(=O)Oc1ccc(cc1)C1N=C(O)c2c(N1)sc1c2CCN(C1)C(C)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 C28H31N3O6S MW 537.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O6S/c1-15(2)31-11-10-19-22(14-31)38-27-23(19)26(32)29-25(30-27)16-6-8-18(9-7-16)37-28(33)17-12-20(34-3)24(36-5)21(13-17)35-4/h6-9,12-13,15,25,30H,10-11,14H2,1-5H3,(H,29,32)InChIKey
KCYDPBMBFFUBTM-UHFFFAOYSA-NSynonyms
(4(4oxo7propan2yl123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)345trimethoxybenzoate
4(4hydroxy7(propan2yl)125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)phenyl345trimethoxybenzoate
CC(C)N1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC
InChI=1SC28H31N3O6Sc115(2)3111101922(1431)382723(19)26(32)2925(3027)166818(9716)3728(33)171220(343)24(365)21(1317)354h691213152530H101114H215H3(H2932)
MFCD04041973
ZINC000101975956
ZINC000101975960
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