Vitas-M small molecule compound
[6-methyl-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
STK601918
SMILES CC1CCc2c(C1)c1c(s2)n(CCc2ccccc2)c(=O)n(c1=O)CC(=O)O
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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 C21H22N2O4S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S/c1-13-7-8-16-15(11-13)18-19(26)23(12-17(24)25)21(27)22(20(18)28-16)10-9-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,24,25)InChIKey
RLGGEMMZBAHYSR-UHFFFAOYSA-NSynonyms
903204-17-1(6methyl24dioxo1(2phenylethyl)145678hexahydro(1)benzothieno(23d)pyrimidin3(2H)yl)aceticacid
2(6methyl24dioxo1(2phenylethyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)aceticacid
2(6methyl24dioxo1phenethyl125678hexahydrobenzo(45)thieno(23d)pyrimidin3(4H)yl)aceticacid
903204171
CC1CCC2=C(C1)C3=C(S2)N(C(=O)N(C3=O)CC(=O)O)CCC4=CC=CC=C4
InChI=1SC21H22N2O4Sc113781615(1113)1819(26)23(1217(24)25)21(27)22(20(18)2816)109145324614h2613H712H21H3(H2425)
MFCD08291616
ZINC000006760148
ZINC000006760149
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