Vitas-M small molecule compound
pentyl {[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STL307822
SMILES C=CCn1c(SCC(=O)OCCCCC)nc2c(c1=O)c1CC(C)(C)OCc1s2
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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 C21H28N2O4S2 MW 436.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O4S2/c1-5-7-8-10-26-16(24)13-28-20-22-18-17(19(25)23(20)9-6-2)14-11-21(3,4)27-12-15(14)29-18/h6H,2,5,7-13H2,1,3-4H3InChIKey
YLOVSMRXAUTVBM-UHFFFAOYSA-NSynonyms
316359-23-6316359236
CCCCCOC(=O)CSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1CC=C
InChI=1SC21H28N2O4S2c1578102616(24)132820221817(19(25)23(20)962)141121(34)271215(14)2918h6H25713H2134H3
MFCD01557429
pentyl((66dimethyl4oxo3(prop2en1yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetate
pentyl2((3allyl66dimethyl4oxo4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)acetate
pentyl2((66dimethyl4oxo3prop2enyl58dihydropyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
ZINC000002183019
ZINC02183019
ZINC2183019
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