Vitas-M small molecule compound

[4-(2-cyanoethyl)piperazin-1-yl]{5-[(2-methylpropanoyl)amino]-1H-indol-3-yl}acetic acid

Catalog ID
STK659454
SMILES CC(C(=O)Nc1ccc2c(c1)c(c[nH]2)C(C(=O)O)N1CCN(CC1)CCC#N)C

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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 C21H27N5O3 MW 397.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O3/c1-14(2)20(27)24-15-4-5-18-16(12-15)17(13-23-18)19(21(28)29)26-10-8-25(9-11-26)7-3-6-22/h4-5,12-14,19,23H,3,7-11H2,1-2H3,(H,24,27)(H,28,29)
InChIKey
IFWPALRFOKYRSC-UHFFFAOYSA-N
Synonyms
1214816-64-4
(4(2cyanoethyl)piperazin1yl)(5((2methylpropanoyl)amino)1Hindol3yl)aceticacid
1214816644
2(4(2cyanoethyl)piperazin1yl)2(5(2methylpropanoylamino)1Hindol3yl)aceticacid
2(4(2cyanoethyl)piperazin1yl)2(5isobutyramido1Hindol3yl)aceticacid
CC(C(=O)Nc1ccc2c(c1)c(c(nH)2)C(C(=O)O)N1CCN(CC1)CCC#N)C
CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)CCC#N
InChI=1SC21H27N5O3c114(2)20(27)2415451816(1215)17(132318)19(21(28)29)2610825(91126)73622h4512141923H3711H212H3(H2427)(H2829)
MFCD13757512
ZINC000036357903
ZINC000036357904

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Available files

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