Vitas-M small molecule compound
3-(4-bromophenyl)-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Catalog ID
STL131410
SMILES Brc1ccc(cc1)n1c(SCC(=O)N2CCOc3c2cc(C)cc3)nc2c(c1=O)scc2
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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 C23H18BrN3O3S2 MW 528.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrN3O3S2/c1-14-2-7-19-18(12-14)26(9-10-30-19)20(28)13-32-23-25-17-8-11-31-21(17)22(29)27(23)16-5-3-15(24)4-6-16/h2-8,11-12H,9-10,13H2,1H3InChIKey
TWHDENLJXOBGBL-UHFFFAOYSA-NSynonyms
3(4bromophenyl)2((2(6methyl23dihydro4H14benzoxazin4yl)2oxoethyl)sulfanyl)thieno(32d)pyrimidin4(3H)one
3(4bromophenyl)2(2(6methyl23dihydro14benzoxazin4yl)2oxoethyl)sulfanylthieno(32d)pyrimidin4one
CC1=CC2=C(C=C1)OCCN2C(=O)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)Br)SC=C4
InChI=1SC23H18BrN3O3S2c114271918(1214)26(9103019)20(28)13322325178113121(17)22(29)27(23)165315(24)4616h281112H91013H21H3
MFCD14919827
ZINC000033355748
ZINC33355748
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