Vitas-M small molecule compound

pentyl [(2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]acetate

Catalog ID
STK721676
SMILES CCCCCOC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccccc1

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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 C27H29N3O3S2 MW 507.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3S2/c1-4-5-9-12-32-20(31)15-34-26-24-23(28-16-29-26)21-18-13-27(2,3)33-14-19(18)22(30-25(21)35-24)17-10-7-6-8-11-17/h6-8,10-11,16H,4-5,9,12-15H2,1-3H3
InChIKey
QEXGQOATXYYZNL-UHFFFAOYSA-N
Synonyms
577765-18-5
577765185
CCCCCOC(=O)CSC1=NC=NC2=C1SC3=NC(=C4COC(CC4=C23)(C)C)C5=CC=CC=C5
InChI=1SC27H29N3O3S2c1459123220(31)1534262423(28162926)21181327(23)331419(18)22(3025(21)3524)17107681117h68101116H4591215H213H3
MFCD04018983
pentyl((22dimethyl5phenyl14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)sulfanyl)acetate
pentyl2((22dimethyl5phenyl24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)thio)acetate
ZINC000008738779
ZINC08738779
ZINC8738779

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Available files

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