Vitas-M small molecule compound
4-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 4-tert-butylbenzoate
Catalog ID
STK746080
SMILES CN1CCc2c(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 C27H29N3O3S MW 475.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3S/c1-27(2,3)18-9-5-17(6-10-18)26(32)33-19-11-7-16(8-12-19)23-28-24(31)22-20-13-14-30(4)15-21(20)34-25(22)29-23/h5-12,23,29H,13-15H2,1-4H3,(H,28,31)InChIKey
LEWTUXVHNKDUEH-UHFFFAOYSA-NSynonyms
353463-87-3(4(7methyl4oxo123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)4tertbutylbenzoate
353463873
4(4hydroxy7methyl125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)phenyl4tertbutylbenzoate
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3NC4=C(C5=C(S4)CN(CC5)C)C(=O)N3
InChI=1SC27H29N3O3Sc127(23)189517(61018)26(32)331911716(81219)232824(31)2220131430(4)1521(20)3425(22)2923h5122329H1315H214H3(H2831)
MFCD03801959
ZINC000002362423
ZINC000002362424
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