Vitas-M small molecule compound
3-benzyl-7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK698854
SMILES O=C(c1ccccc1)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC(C3)C(C)(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 C29H30N2O2S2 MW 502.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O2S2/c1-29(2,3)21-14-15-22-24(16-21)35-26-25(22)27(33)31(17-19-10-6-4-7-11-19)28(30-26)34-18-23(32)20-12-8-5-9-13-20/h4-13,21H,14-18H2,1-3H3InChIKey
RHKPJQWLMIQNCE-UHFFFAOYSA-NSynonyms
354992-66-8354992668
3benzyl7(tertbutyl)2((2oxo2phenylethyl)thio)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3benzyl7tertbutyl2((2oxo2phenylethyl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3benzyl7tertbutyl2phenacylsulfanyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CC5=CC=CC=C5
InChI=1SC29H30N2O2S2c129(23)2114152224(1621)352625(22)27(33)31(1719106471119)28(3026)341823(32)20128591320h41321H1418H213H3
MFCD01877899
ZINC000002183451
ZINC000002183452
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