Vitas-M small molecule compound
2-ethoxy-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-methylbenzoate
Catalog ID
STK746095
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)C)C1N=C(O)c2c(N1)sc1c2CCN(C1)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 C26H27N3O4S MW 477.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O4S/c1-4-32-20-13-17(9-10-19(20)33-26(31)16-7-5-15(2)6-8-16)23-27-24(30)22-18-11-12-29(3)14-21(18)34-25(22)28-23/h5-10,13,23,28H,4,11-12,14H2,1-3H3,(H,27,30)InChIKey
LBNJXETZOCSCOI-UHFFFAOYSA-NSynonyms
488134-97-0(2ethoxy4(7methyl4oxo123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)4methylbenzoate
2ethoxy4(4hydroxy7methyl125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)phenyl4methylbenzoate
488134970
CCOC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CN(CC4)C)C(=O)N2)OC(=O)C5=CC=C(C=C5)C
InChI=1SC26H27N3O4Sc1432201317(91019(20)3326(31)167515(2)6816)232724(30)2218111229(3)1421(18)3425(22)2823h510132328H4111214H213H3(H2730)
MFCD03815261
ZINC000002332209
ZINC000002332211
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