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]-2-methoxyphenyl 4-methylbenzoate
Catalog ID
STK384414
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)C)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 C27H29N3O4S MW 491.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4S/c1-15(2)30-12-11-19-22(14-30)35-26-23(19)25(31)28-24(29-26)18-9-10-20(21(13-18)33-4)34-27(32)17-7-5-16(3)6-8-17/h5-10,13,15,24,29H,11-12,14H2,1-4H3,(H,28,31)InChIKey
HFLPWWSNCFGEIT-UHFFFAOYSA-NSynonyms
(2methoxy4(4oxo7propan2yl123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)4methylbenzoate
4(4hydroxy7(propan2yl)125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)2methoxyphenyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C3NC4=C(C5=C(S4)CN(CC5)C(C)C)C(=O)N3)OC
InChI=1SC27H29N3O4Sc115(2)3012111922(1430)352623(19)25(31)2824(2926)1891020(21(1318)334)3427(32)177516(3)6817h51013152429H111214H214H3(H2831)
MFCD04041599
ZINC000015947087
ZINC000015947089
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