Vitas-M small molecule compound
2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4(3H)-one
Catalog ID
STL029652
SMILES CC(Cn1c(SCC(=O)N2CCOc3c2cc(C)cc3)nc2c(c1=O)scc2)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 C21H23N3O3S2 MW 429.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S2/c1-13(2)11-24-20(26)19-15(6-9-28-19)22-21(24)29-12-18(25)23-7-8-27-17-5-4-14(3)10-16(17)23/h4-6,9-10,13H,7-8,11-12H2,1-3H3InChIKey
IBICMULTKUFYLU-UHFFFAOYSA-NSynonyms
2((2(6methyl23dihydro4H14benzoxazin4yl)2oxoethyl)sulfanyl)3(2methylpropyl)thieno(32d)pyrimidin4(3H)one
2(2(6methyl23dihydro14benzoxazin4yl)2oxoethyl)sulfanyl3(2methylpropyl)thieno(32d)pyrimidin4one
CC1=CC2=C(C=C1)OCCN2C(=O)CSC3=NC4=C(C(=O)N3CC(C)C)SC=C4
InChI=1SC21H23N3O3S2c113(2)112420(26)1915(692819)2221(24)291218(25)237827175414(3)1016(17)23h4691013H781112H213H3
MFCD18189942
ZINC000057426261
ZINC57426261
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