Vitas-M small molecule compound
3-(3-methylbutyl)-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
STL029347
SMILES CC(CCn1c(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 C22H25N3O3S2 MW 443.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3S2/c1-14(2)6-8-25-21(27)20-16(7-11-29-20)23-22(25)30-13-19(26)24-9-10-28-18-5-4-15(3)12-17(18)24/h4-5,7,11-12,14H,6,8-10,13H2,1-3H3InChIKey
YCHLAVGCRLGCHE-UHFFFAOYSA-NSynonyms
1252816-68-41252816684
3(3methylbutyl)2((2(6methyl23dihydro4H14benzoxazin4yl)2oxoethyl)sulfanyl)thieno(32d)pyrimidin4(3H)one
3(3methylbutyl)2(2(6methyl23dihydro14benzoxazin4yl)2oxoethyl)sulfanylthieno(32d)pyrimidin4one
CC1=CC2=C(C=C1)OCCN2C(=O)CSC3=NC4=C(C(=O)N3CCC(C)C)SC=C4
InChI=1SC22H25N3O3S2c114(2)682521(27)2016(7112920)2322(25)301319(26)2491028185415(3)1217(18)24h457111214H681013H213H3
MFCD18189655
ZINC000057426050
ZINC57426050
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