Vitas-M small molecule compound
[(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
Catalog ID
STK593575
SMILES OC(=O)C[C@]1(ON=C(C1)c1ccc(cc1)C)C(=O)Nc1ccc2c(c1)OCCO2
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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 C21H20N2O6 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O6/c1-13-2-4-14(5-3-13)16-11-21(29-23-16,12-19(24)25)20(26)22-15-6-7-17-18(10-15)28-9-8-27-17/h2-7,10H,8-9,11-12H2,1H3,(H,22,26)(H,24,25)/t21-/m0/s1InChIKey
LYVFCVHJUCCXSL-NRFANRHFSA-NSynonyms
1212377-18-8((5S)5(23dihydro14benzodioxin6ylcarbamoyl)3(4methylphenyl)45dihydro12oxazol5yl)aceticacid
(S)2(5((23dihydrobenzo(b)(14)dioxin6yl)carbamoyl)3(ptolyl)45dihydroisoxazol5yl)aceticacid
1212377188
2((5S)5(23DIHYDRO14BENZODIOXIN6YLCARBAMOYL)3(4METHYLPHENYL)4H12OXAZOL5YL)ACETICACID
CC1=CC=C(C=C1)C2=NOC(C2)(CC(=O)O)C(=O)NC3=CC4=C(C=C3)OCCO4
InChI=1SC21H20N2O6c1132414(5313)161121(2923161219(24)25)20(26)2215671718(1015)28982717h2710H891112H21H3(H2226)(H2425)t21m0s1
MFCD08284604
OC(=O)C(C@)1(ON=C(C1)c1ccc(cc1)C)C(=O)Nc1ccc2c(c1)OCCO2
ZINC000005451923
ZINC5451923
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