Vitas-M small molecule compound

{(5S)-5-[(3-chloro-2-methylphenyl)carbamoyl]-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazol-5-yl}acetic acid

Catalog ID
STK615312
SMILES OC(=O)C[C@]1(ON=C(C1)/C=C/c1ccccc1)C(=O)Nc1cccc(c1C)Cl

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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 C21H19ClN2O4 MW 398.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O4/c1-14-17(22)8-5-9-18(14)23-20(27)21(13-19(25)26)12-16(24-28-21)11-10-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,23,27)(H,25,26)/b11-10+/t21-/m0/s1
InChIKey
LPOXLCFXXZCTKM-ZJVMWOEPSA-N
Synonyms
1014084-92-4
((5S)5((3chloro2methylphenyl)carbamoyl)3((E)2phenylethenyl)45dihydro12oxazol5yl)aceticacid
(SE)2(5((3chloro2methylphenyl)carbamoyl)3styryl45dihydroisoxazol5yl)aceticacid
1014084924
2((5S)5((3CHLORANYL2METHYLPHENYL)CARBAMOYL)3((E)2PHENYLETHENYL)4H12OXAZOL5YL)ETHANOICACID
2((5S)5((3CHLORO2METHYLANILINO)OXOMETHYL)3((E)2PHENYLETHENYL)4HISOXAZOL5YL)ACETICACID
2((5S)5((3CHLORO2METHYLPHENYL)CARBAMOYL)3((E)2PHENYLETHENYL)4H12OXAZOL5YL)ACETICACID
2((5S)5((3CHLORO2METHYLPHENYL)CARBAMOYL)3((E)STYRYL)2ISOXAZOLIN5YL)ACETICACID
CC1=C(C=CC=C1Cl)NC(=O)C2(CC(=NO2)C=CC3=CC=CC=C3)CC(=O)O
InChI=1SC21H19ClN2O4c11417(22)85918(14)2320(27)21(1319(25)26)1216(242821)1110156324715h211H1213H21H3(H2327)(H2526)b1110+t21m0s1
MFCD08288867
OC(=O)C(C@)1(ON=C(C1)C=Cc1ccccc1)C(=O)Nc1cccc(c1C)Cl
ZINC000006756457
ZINC6756457

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Available files

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