Vitas-M small molecule compound
7-tert-butyl-3-(4-methoxyphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK993128
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nc2c(c1=O)c1CCC(Cc1s2)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 C29H30N2O3S2 MW 518.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O3S2/c1-29(2,3)19-10-15-22-24(16-19)36-26-25(22)27(33)31(20-11-13-21(34-4)14-12-20)28(30-26)35-17-23(32)18-8-6-5-7-9-18/h5-9,11-14,19H,10,15-17H2,1-4H3InChIKey
BEPSSACPERGIMM-UHFFFAOYSA-NSynonyms
7tertbutyl3(4methoxyphenyl)2((2oxo2phenylethyl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
7tertbutyl3(4methoxyphenyl)2phenacylsulfanyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC
InChI=1SC29H30N2O3S2c129(23)1910152224(1619)362625(22)27(33)31(20111321(344)141220)28(3026)351723(32)188657918h59111419H101517H214H3
MFCD02631129
ZINC000008432061
ZINC000008432063
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