Vitas-M small molecule compound
3-(2,4-dimethylphenyl)-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
STL076449
SMILES Cc1ccc(c(c1)C)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 C25H23N3O3S2 MW 477.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3S2/c1-15-4-6-19(17(3)12-15)28-24(30)23-18(8-11-32-23)26-25(28)33-14-22(29)27-9-10-31-21-7-5-16(2)13-20(21)27/h4-8,11-13H,9-10,14H2,1-3H3InChIKey
JGUBMTPKFMXPTM-UHFFFAOYSA-NSynonyms
3(24dimethylphenyl)2((2(6methyl23dihydro4H14benzoxazin4yl)2oxoethyl)sulfanyl)thieno(32d)pyrimidin4(3H)one
3(24dimethylphenyl)2(2(6methyl23dihydro14benzoxazin4yl)2oxoethyl)sulfanylthieno(32d)pyrimidin4one
CC1=CC(=C(C=C1)N2C(=O)C3=C(C=CS3)N=C2SCC(=O)N4CCOC5=C4C=C(C=C5)C)C
InChI=1SC25H23N3O3S2c1154619(17(3)1215)2824(30)2318(8113223)2625(28)331422(29)2791031217516(2)1320(21)27h481113H91014H213H3
MFCD18197681
ZINC000067217354
ZINC67217354
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