Vitas-M small molecule compound
methyl {[5-methyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK283391
SMILES COC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)C(C)CCC3
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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 C21H22N2O3S2 MW 414.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S2/c1-12-7-9-14(10-8-12)23-20(25)18-17-13(2)5-4-6-15(17)28-19(18)22-21(23)27-11-16(24)26-3/h7-10,13H,4-6,11H2,1-3H3InChIKey
RWKUXAFHTDISIM-UHFFFAOYSA-NSynonyms
381190-60-9381190609
CC1CCCC2=C1C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)C)SCC(=O)OC
InChI=1SC21H22N2O3S2c1127914(10812)2320(25)181713(2)54615(17)2819(18)2221(23)271116(24)263h71013H4611H213H3
methyl((5methyl3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((5methyl3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((5methyl4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
MFCD02993731
ZINC000000986160
ZINC000000986161
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