Vitas-M small molecule compound
ethyl 4-{[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}butanoate
Catalog ID
STL304467
SMILES CCOC(=O)CCCSc1nc(SC)nc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1
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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 C25H32N4O4S3 MW 548.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O4S3/c1-5-32-17(30)7-6-12-35-23-20-19(26-24(28-23)34-4)18-15-13-25(2,3)33-14-16(15)21(27-22(18)36-20)29-8-10-31-11-9-29/h5-14H2,1-4H3InChIKey
PHLCOCRGGNISIS-UHFFFAOYSA-NSynonyms
845631-41-6845631416
CCOC(=O)CCCSC1=NC(=NC2=C1SC3=NC(=C4COC(CC4=C23)(C)C)N5CCOCC5)SC
ethyl4((22dimethyl10(methylsulfanyl)5(morpholin4yl)14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)sulfanyl)butanoate
ethyl4((22dimethyl10(methylthio)5morpholino24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)thio)butanoate
InChI=1SC25H32N4O4S3c153217(30)761235232019(2624(2823)344)18151325(23)331416(15)21(2722(18)3620)298103111929h514H214H3
MFCD04166160
ZINC000097954231
ZINC97954231
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