Vitas-M small molecule compound
4-(7-benzyl-4-hydroxy-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-methoxyphenyl 4-bromobenzoate
Catalog ID
STK384743
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)Br)C1N=C(O)c2c(N1)sc1c2CCN(C1)Cc1ccccc1
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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 C30H26BrN3O4S MW 604.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26BrN3O4S/c1-37-24-15-20(9-12-23(24)38-30(36)19-7-10-21(31)11-8-19)27-32-28(35)26-22-13-14-34(16-18-5-3-2-4-6-18)17-25(22)39-29(26)33-27/h2-12,15,27,33H,13-14,16-17H2,1H3,(H,32,35)InChIKey
YYAVHSIBXLHSPJ-UHFFFAOYSA-NSynonyms
(4(7benzyl4oxo123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)2methoxyphenyl)4bromobenzoate
4(7benzyl4hydroxy125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)2methoxyphenyl4bromobenzoate
COC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CN(CC4)CC5=CC=CC=C5)C(=O)N2)OC(=O)C6=CC=C(C=C6)Br
InChI=1SC30H26BrN3O4Sc137241520(91223(24)3830(36)1971021(31)11819)273228(35)2622131434(16185324618)1725(22)3929(26)3327h212152733H13141617H21H3(H3235)
MFCD05661701
ZINC000102100787
ZINC000102100795
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