Vitas-M small molecule compound
2-ethoxy-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 benzoate
Catalog ID
STK383399
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1)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/c1-4-33-21-14-18(10-11-20(21)34-27(32)17-8-6-5-7-9-17)24-28-25(31)23-19-12-13-30(16(2)3)15-22(19)35-26(23)29-24/h5-11,14,16,24,29H,4,12-13,15H2,1-3H3,(H,28,31)InChIKey
RNGSBOPJNCDTOM-UHFFFAOYSA-NSynonyms
(2ethoxy4(4oxo7propan2yl123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)benzoate
2ethoxy4(4hydroxy7(propan2yl)125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)phenylbenzoate
CCOC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CN(CC4)C(C)C)C(=O)N2)OC(=O)C5=CC=CC=C5
InChI=1SC27H29N3O4Sc1433211418(101120(21)3427(32)178657917)242825(31)2319121330(16(2)3)1522(19)3526(23)2924h51114162429H4121315H213H3(H2831)
MFCD03835912
ZINC000015946369
ZINC000015946371
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