Vitas-M small molecule compound

[5-(acetylamino)-1H-indol-3-yl]{4-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]piperazin-1-yl}acetic acid

Catalog ID
STK656974
SMILES COc1c(C)cnc(c1C)CN1CCN(CC1)C(c1c[nH]c2c1cc(cc2)NC(=O)C)C(=O)O

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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 C25H31N5O4 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O4/c1-15-12-26-22(16(2)24(15)34-4)14-29-7-9-30(10-8-29)23(25(32)33)20-13-27-21-6-5-18(11-19(20)21)28-17(3)31/h5-6,11-13,23,27H,7-10,14H2,1-4H3,(H,28,31)(H,32,33)
InChIKey
GTUUOTYPZZMCTL-UHFFFAOYSA-N
Synonyms
1144469-33-9
(5(acetylamino)1Hindol3yl)(4((4methoxy35dimethylpyridin2yl)methyl)piperazin1yl)aceticacid
1144469339
2(5acetamido1Hindol3yl)2(4((4methoxy35dimethylpyridin2yl)methyl)piperazin1yl)aceticacid
CC1=CN=C(C(=C1OC)C)CN2CCN(CC2)C(C3=CNC4=C3C=C(C=C4)NC(=O)C)C(=O)O
COc1c(C)cnc(c1C)CN1CCN(CC1)C(c1c(nH)c2c1cc(cc2)NC(=O)C)C(=O)O
InChI=1SC25H31N5O4c115122622(16(2)24(15)344)14297930(10829)23(25(32)33)201327216518(1119(20)21)2817(3)31h5611132327H71014H214H3(H2831)(H3233)
MFCD12215039
ZINC000031809528
ZINC000031809533

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Available files

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