Vitas-M small molecule compound
[(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
Catalog ID
STK601025
SMILES COc1ccc(cc1C1=NO[C@@](C1)(CC(=O)O)C(=O)Nc1ccc2c(c1)OCCO2)OC
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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 C22H22N2O8 MW 442.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O8/c1-28-14-4-6-17(29-2)15(10-14)16-11-22(32-24-16,12-20(25)26)21(27)23-13-3-5-18-19(9-13)31-8-7-30-18/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,23,27)(H,25,26)/t22-/m0/s1InChIKey
VDEXCSVIQOIWKS-QFIPXVFZSA-NSynonyms
1014021-94-3((5S)5(23dihydro14benzodioxin6ylcarbamoyl)3(25dimethoxyphenyl)45dihydro12oxazol5yl)aceticacid
(S)2(5((23dihydrobenzo(b)(14)dioxin6yl)carbamoyl)3(25dimethoxyphenyl)45dihydroisoxazol5yl)aceticacid
1014021943
2((5S)5(23dihydro14benzodioxin6ylcarbamoyl)3(25dimethoxyphenyl)4H12oxazol5yl)aceticacid
COC1=CC(=C(C=C1)OC)C2=NOC(C2)(CC(=O)O)C(=O)NC3=CC4=C(C=C3)OCCO4
COc1ccc(cc1C1=NO(C@@)(C1)(CC(=O)O)C(=O)Nc1ccc2c(c1)OCCO2)OC
InChI=1SC22H22N2O8c128144617(292)15(1014)161122(3224161220(25)26)21(27)2313351819(913)31873018h36910H781112H212H3(H2327)(H2526)t22m0s1
MFCD18246140
ZINC000009348636
ZINC9348636
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