Vitas-M small molecule compound
N-({4-[(1-hydroxycyclohexyl)ethynyl]phenyl}carbonyl)histidine
Catalog ID
STK684867
SMILES OC(=O)C(Cc1cnc[nH]1)NC(=O)c1ccc(cc1)C#CC1(O)CCCCC1
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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 C21H23N3O4 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4/c25-19(24-18(20(26)27)12-17-13-22-14-23-17)16-6-4-15(5-7-16)8-11-21(28)9-2-1-3-10-21/h4-7,13-14,18,28H,1-3,9-10,12H2,(H,22,23)(H,24,25)(H,26,27)InChIKey
OIZDEHQOEOHYGO-UHFFFAOYSA-NSynonyms
2((4(2(1HYDROXYCYCLOHEXYL)ETHYNYL)BENZOYL)AMINO)3(1HIMIDAZOL5YL)PROPANOICACID
C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)NC(CC3=CN=CN3)C(=O)O)O
InChI=1SC21H23N3O4c2519(2418(20(26)27)12171322142317)166415(5716)81121(28)92131021h4713141828H1391012H2(H2223)(H2425)(H2627)
MFCD05856406
N((4((1hydroxycyclohexyl)ethynyl)phenyl)carbonyl)histidine
OC(=O)C(Cc1cnc(nH)1)NC(=O)c1ccc(cc1)C#CC1(O)CCCCC1
ZINC000036038181
ZINC000038199321
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