Vitas-M small molecule compound
3-(3,4-dimethylbenzyl)-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
STL029763
SMILES Cc1ccc2c(c1)N(CCO2)C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccc(c(c1)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 C26H25N3O3S2 MW 491.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O3S2/c1-16-4-7-22-21(12-16)28(9-10-32-22)23(30)15-34-26-27-20-8-11-33-24(20)25(31)29(26)14-19-6-5-17(2)18(3)13-19/h4-8,11-13H,9-10,14-15H2,1-3H3InChIKey
SGHDBGPKHZQBIC-UHFFFAOYSA-NSynonyms
3((34dimethylphenyl)methyl)2(2(6methyl23dihydro14benzoxazin4yl)2oxoethyl)sulfanylthieno(32d)pyrimidin4one
3(34dimethylbenzyl)2((2(6methyl23dihydro4H14benzoxazin4yl)2oxoethyl)sulfanyl)thieno(32d)pyrimidin4(3H)one
CC1=CC2=C(C=C1)OCCN2C(=O)CSC3=NC4=C(C(=O)N3CC5=CC(=C(C=C5)C)C)SC=C4
InChI=1SC26H25N3O3S2c116472221(1216)28(9103222)23(30)15342627208113324(20)25(31)29(26)14196517(2)18(3)1319h481113H9101415H213H3
MFCD18190053
ZINC000067690001
ZINC67690001
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