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-methylbenzoate
Catalog ID
STK384413
SMILES Cc1ccc(cc1)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 C26H27N3O3S MW 461.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O3S/c1-15(2)29-13-12-20-21(14-29)33-25-22(20)24(30)27-23(28-25)17-8-10-19(11-9-17)32-26(31)18-6-4-16(3)5-7-18/h4-11,15,23,28H,12-14H2,1-3H3,(H,27,30)InChIKey
GJMLPEOIEVGGIN-UHFFFAOYSA-NSynonyms
(4(4oxo7propan2yl123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)4methylbenzoate
4(4hydroxy7(propan2yl)125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)phenyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3NC4=C(C5=C(S4)CN(CC5)C(C)C)C(=O)N3
InChI=1SC26H27N3O3Sc115(2)2913122021(1429)332522(20)24(30)2723(2825)1781019(11917)3226(31)186416(3)5718h411152328H1214H213H3(H2730)
MFCD04041598
ZINC000008923484
ZINC000008923485
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