Vitas-M small molecule compound
[2,4-dioxo-1-(2-phenylethyl)-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl]acetic acid
Catalog ID
STK613398
SMILES OC(=O)Cn1c(=O)n(CCc2ccccc2)c2c(c1=O)c1CCCCc1s2
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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 C20H20N2O4S MW 384.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O4S/c23-16(24)12-22-18(25)17-14-8-4-5-9-15(14)27-19(17)21(20(22)26)11-10-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,23,24)InChIKey
OJWMCYFMQQXPMQ-UHFFFAOYSA-NSynonyms
904500-25-0(24dioxo1(2phenylethyl)145678hexahydro(1)benzothieno(23d)pyrimidin3(2H)yl)aceticacid
2(24dioxo1(2phenylethyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)aceticacid
2(24dioxo1phenethyl125678hexahydrobenzo(45)thieno(23d)pyrimidin3(4H)yl)aceticacid
904500250
C1CCC2=C(C1)C3=C(S2)N(C(=O)N(C3=O)CC(=O)O)CCC4=CC=CC=C4
InChI=1SC20H20N2O4Sc2316(24)122218(25)1714845915(14)2719(17)21(20(22)26)1110136213713h1367H45812H2(H2324)
MFCD08284875
ZINC000006661245
ZINC6661245
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