Vitas-M small molecule compound

{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl}(2-phenyl-1H-indol-3-yl)acetic acid

Catalog ID
STK632984
SMILES OC(=O)C(c1c([nH]c2c1cccc2)c1ccccc1)N1CCN(CC1)Cc1c(C)noc1C

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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 C26H28N4O3 MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O3/c1-17-21(18(2)33-28-17)16-29-12-14-30(15-13-29)25(26(31)32)23-20-10-6-7-11-22(20)27-24(23)19-8-4-3-5-9-19/h3-11,25,27H,12-16H2,1-2H3,(H,31,32)
InChIKey
LSZHYOSOIFAVLY-UHFFFAOYSA-N
Synonyms
1040702-29-1
(4((35dimethyl12oxazol4yl)methyl)piperazin1yl)(2phenyl1Hindol3yl)aceticacid
1040702291
2(4((35dimethyl12oxazol4yl)methyl)piperazin1yl)2(2phenyl1Hindol3yl)aceticacid
2(4((35dimethylisoxazol4yl)methyl)piperazin1yl)2(2phenyl1Hindol3yl)aceticacid
CC1=C(C(=NO1)C)CN2CCN(CC2)C(C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)O
InChI=1SC26H28N4O3c11721(18(2)332817)1629121430(151329)25(26(31)32)232010671122(20)2724(23)198435919h3112527H1216H212H3(H3132)
MFCD12210087
OC(=O)C(c1c((nH)c2c1cccc2)c1ccccc1)N1CCN(CC1)Cc1c(C)noc1C
ZINC000020745104
ZINC000020745105

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.