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)phenyl (2E)-3-(4-methoxyphenyl)prop-2-enoate
Catalog ID
STK384757
SMILES COc1ccc(cc1)/C=C/C(=O)Oc1ccc(cc1)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 C32H29N3O4S MW 551.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N3O4S/c1-38-24-12-7-21(8-13-24)9-16-28(36)39-25-14-10-23(11-15-25)30-33-31(37)29-26-17-18-35(19-22-5-3-2-4-6-22)20-27(26)40-32(29)34-30/h2-16,30,34H,17-20H2,1H3,(H,33,37)/b16-9+InChIKey
ZWKGREMUMUCLQZ-CXUHLZMHSA-NSynonyms
(4(7benzyl4oxo123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)(E)3(4methoxyphenyl)prop2enoate
4(7benzyl4hydroxy125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)phenyl(2E)3(4methoxyphenyl)prop2enoate
COC1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)C3NC4=C(C5=C(S4)CN(CC5)CC6=CC=CC=C6)C(=O)N3
COc1ccc(cc1)C=CC(=O)Oc1ccc(cc1)C1N=C(O)c2c(N1)sc1c2CCN(C1)Cc1ccccc1
InChI=1SC32H29N3O4Sc1382412721(81324)91628(36)3925141023(111525)303331(37)2926171835(19225324622)2027(26)4032(29)3430h2163034H1720H21H3(H3337)b169+
MFCD05661716
ZINC000097964031
ZINC000097964032
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