Vitas-M small molecule compound
ethyl {[3-(4-bromophenyl)-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK831076
SMILES CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Br)CC(OC3)(C)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 C21H21BrN2O4S2 MW 509.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O4S2/c1-4-27-16(25)11-29-20-23-18-17(14-9-21(2,3)28-10-15(14)30-18)19(26)24(20)13-7-5-12(22)6-8-13/h5-8H,4,9-11H2,1-3H3InChIKey
VMRBQFAGMAJMJW-UHFFFAOYSA-NSynonyms
351005-09-9351005099
CCOC(=O)CSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1C4=CC=C(C=C4)Br
ethyl((3(4bromophenyl)66dimethyl4oxo3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((3(4bromophenyl)66dimethyl4oxo4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)acetate
ethyl2((3(4bromophenyl)66dimethyl4oxo58dihydropyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
InChI=1SC21H21BrN2O4S2c142716(25)112920231817(14921(23)281015(14)3018)19(26)24(20)137512(22)6813h58H4911H213H3
MFCD01951742
ZINC000001219096
ZINC01219096
ZINC1219096
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