Vitas-M small molecule compound
2,2-dimethyl-5-(2-methylpropyl)-8-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Catalog ID
STK721574
SMILES CC(Cc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3SC/C=C/c1ccccc1)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 C27H29N3OS2 MW 475.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3OS2/c1-17(2)13-21-20-15-31-27(3,4)14-19(20)22-23-24(33-25(22)30-21)26(29-16-28-23)32-12-8-11-18-9-6-5-7-10-18/h5-11,16-17H,12-15H2,1-4H3/b11-8+InChIKey
DOHYSESVMFPADF-DHZHZOJOSA-NSynonyms
799799-13-622dimethyl5(2methylpropyl)8(((2E)3phenylprop2en1yl)sulfanyl)14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidine
799799136
8(cinnamylthio)5isobutyl22dimethyl24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidine
CC(C)CC1=C2COC(CC2=C3C4=C(C(=NC=N4)SCC=CC5=CC=CC=C5)SC3=N1)(C)C
CC(Cc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3SCC=Cc1ccccc1)C
InChI=1SC27H29N3OS2c117(2)132120153127(34)1419(20)222324(3325(22)3021)26(29162823)32128111896571018h5111617H1215H214H3b118+
MFCD03677854
ZINC000002221952
ZINC02221952
ZINC2221952
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