Vitas-M small molecule compound
{(5S)-5-(cycloheptylcarbamoyl)-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazol-5-yl}acetic acid
Catalog ID
STK570934
SMILES O=C([C@@]1(ON=C(C1)/C=C/c1ccccc1)CC(=O)O)NC1CCCCCC1
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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 C21H26N2O4 MW 370.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O4/c24-19(25)15-21(20(26)22-17-10-6-1-2-7-11-17)14-18(23-27-21)13-12-16-8-4-3-5-9-16/h3-5,8-9,12-13,17H,1-2,6-7,10-11,14-15H2,(H,22,26)(H,24,25)/b13-12+/t21-/m0/s1InChIKey
NJNINVHNPLSWPV-IWGBCORSSA-NSynonyms
((5S)5(cycloheptylcarbamoyl)3((E)2phenylethenyl)45dihydro12oxazol5yl)aceticacid
(SE)2(5(cycloheptylcarbamoyl)3styryl45dihydroisoxazol5yl)aceticacid
2((5S)5(CYCLOHEPTYLCARBAMOYL)3((E)2PHENYLETHENYL)4H12OXAZOL5YL)ACETICACID
C1CCCC(CC1)NC(=O)C2(CC(=NO2)C=CC3=CC=CC=C3)CC(=O)O
InChI=1SC21H26N2O4c2419(25)1521(20(26)22171061271117)1418(232721)1312168435916h3589121317H126710111415H2(H2226)(H2425)b1312+t21m0s1
MFCD08284569
O=C((C@@)1(ON=C(C1)C=Cc1ccccc1)CC(=O)O)NC1CCCCCC1
ZINC000005451530
ZINC5451530
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