Vitas-M small molecule compound
2-{[7-benzyl-3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide
Catalog ID
STK720594
SMILES O=C(Nc1ccccc1)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCN(C3)Cc1ccccc1
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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 C31H28N4O2S2 MW 552.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O2S2/c1-21-9-8-14-24(17-21)35-30(37)28-25-15-16-34(18-22-10-4-2-5-11-22)19-26(25)39-29(28)33-31(35)38-20-27(36)32-23-12-6-3-7-13-23/h2-14,17H,15-16,18-20H2,1H3,(H,32,36)InChIKey
LLUVZMFXKLIMIR-UHFFFAOYSA-NSynonyms
2((7benzyl3(3methylphenyl)4oxo345678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)sulfanyl)Nphenylacetamide
2((7benzyl3(3methylphenyl)4oxo68dihydro5Hpyrido(23)thieno(24b)pyrimidin2yl)sulfanyl)Nphenylacetamide
2((7benzyl4oxo3(mtolyl)345678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)thio)Nphenylacetamide
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=CC=C4)SC5=C3CCN(C5)CC6=CC=CC=C6
InChI=1SC31H28N4O2S2c121981424(1721)3530(37)2825151634(1822104251122)1926(25)3929(28)3331(35)382027(36)3223126371323h21417H15161820H21H3(H3236)
MFCD03291958
ZINC000053305833
ZINC53305833
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