Vitas-M small molecule compound
methyl {[7-tert-butyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK831122
SMILES COC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)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 C24H28N2O3S2 MW 456.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O3S2/c1-14-6-9-16(10-7-14)26-22(28)20-17-11-8-15(24(2,3)4)12-18(17)31-21(20)25-23(26)30-13-19(27)29-5/h6-7,9-10,15H,8,11-13H2,1-5H3InChIKey
GRJUZZQNDHZGKZ-UHFFFAOYSA-NSynonyms
351160-37-7351160377
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)OC)SC4=C3CCC(C4)C(C)(C)C
InChI=1SC24H28N2O3S2c1146916(10714)2622(28)201711815(24(23)4)1218(17)3121(20)2523(26)301319(27)295h6791015H81113H215H3
methyl((7tertbutyl3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((7(tertbutyl)4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
methyl2((7tertbutyl3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
MFCD01875684
ZINC000002066425
ZINC000002066426
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