Vitas-M small molecule compound
[7,7-dimethyl-2,4-dioxo-3-(2-phenylethyl)-3,4,6,9-tetrahydro-7H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1(2H)-yl]acetic acid
Catalog ID
STK605116
SMILES OC(=O)Cn1c2c3COC(Cc3sc2c(=O)n(c1=O)CCc1ccccc1)(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 C21H22N2O5S MW 414.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5S/c1-21(2)10-15-14(12-28-21)17-18(29-15)19(26)22(20(27)23(17)11-16(24)25)9-8-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,24,25)InChIKey
BSVQLRBIMCUXNQ-UHFFFAOYSA-NSynonyms
903202-36-8(77dimethyl24dioxo3(2phenylethyl)3469tetrahydro7Hpyrano(3445)thieno(32d)pyrimidin1(2H)yl)aceticacid
2(77dimethyl24dioxo3(2phenylethyl)69dihydropyrano(23)thieno(24b)pyrimidin1yl)aceticacid
2(77dimethyl24dioxo3phenethyl234679hexahydro1Hpyrano(3445)thieno(32d)pyrimidin1yl)aceticacid
903202368
CC1(CC2=C(CO1)C3=C(S2)C(=O)N(C(=O)N3CC(=O)O)CCC4=CC=CC=C4)C
InChI=1SC21H22N2O5Sc121(2)101514(122821)1718(2915)19(26)22(20(27)23(17)1116(24)25)98136435713h37H812H212H3(H2425)
MFCD08292299
ZINC000006760607
ZINC6760607
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