Vitas-M small molecule compound
2-{[4-(2-cyanoethyl)piperazin-1-yl]methyl}-4-(1H-indol-6-ylamino)-4-oxobutanoic acid
Catalog ID
STL247422
SMILES N#CCCN1CCN(CC1)CC(C(=O)O)CC(=O)Nc1ccc2c(c1)[nH]cc2
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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 C20H25N5O3 MW 383.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O3/c21-5-1-7-24-8-10-25(11-9-24)14-16(20(27)28)12-19(26)23-17-3-2-15-4-6-22-18(15)13-17/h2-4,6,13,16,22H,1,7-12,14H2,(H,23,26)(H,27,28)InChIKey
OSVSWSTUDCELDU-UHFFFAOYSA-NSynonyms
1374539-27-11374539271
2((4(2cyanoethyl)piperazin1yl)methyl)4(1Hindol6ylamino)4oxobutanoicacid
4((1Hindol6yl)amino)2((4(2cyanoethyl)piperazin1yl)methyl)4oxobutanoicacid
C1CN(CCN1CCC#N)CC(CC(=O)NC2=CC3=C(C=C2)C=CN3)C(=O)O
InChI=1SC20H25N5O3c215172481025(11924)1416(20(27)28)1219(26)23173215462218(15)1317h246131622H171214H2(H2326)(H2728)
MFCD22204547
N#CCCN1CCN(CC1)CC(C(=O)O)CC(=O)Nc1ccc2c(c1)(nH)cc2
ZINC000072406308
ZINC000072406309
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