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-ethoxyphenyl 2-chlorobenzoate
Catalog ID
STK382786
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1Cl)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 C31H28ClN3O4S MW 574.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O4S/c1-2-38-25-16-20(12-13-24(25)39-31(37)21-10-6-7-11-23(21)32)28-33-29(36)27-22-14-15-35(17-19-8-4-3-5-9-19)18-26(22)40-30(27)34-28/h3-13,16,28,34H,2,14-15,17-18H2,1H3,(H,33,36)InChIKey
VNLWYPCISHMONB-UHFFFAOYSA-NSynonyms
(4(7benzyl4oxo123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)2ethoxyphenyl)2chlorobenzoate
4(7benzyl4hydroxy125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)2ethoxyphenyl2chlorobenzoate
CCOC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CN(CC4)CC5=CC=CC=C5)C(=O)N2)OC(=O)C6=CC=CC=C6Cl
InChI=1SC31H28ClN3O4Sc1238251620(121324(25)3931(37)2110671123(21)32)283329(36)2722141535(17198435919)1826(22)4030(27)3428h313162834H214151718H21H3(H3336)
MFCD03037223
ZINC000102084841
ZINC000102084846
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