Vitas-M small molecule compound
3-(4-tert-butylphenyl)-3-{[(4-chloro-3-nitrophenyl)carbonyl]amino}propanoic acid
Catalog ID
STK682077
SMILES OC(=O)CC(c1ccc(cc1)C(C)(C)C)NC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C20H21ClN2O5 MW 404.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN2O5/c1-20(2,3)14-7-4-12(5-8-14)16(11-18(24)25)22-19(26)13-6-9-15(21)17(10-13)23(27)28/h4-10,16H,11H2,1-3H3,(H,22,26)(H,24,25)InChIKey
QUYRNZIEBHZIML-UHFFFAOYSA-NSynonyms
3(4tertbutylphenyl)3(((4chloro3nitrophenyl)carbonyl)amino)propanoicacid3(4TERTBUTYLPHENYL)3((4CHLORO3NITROBENZOYL)AMINO)PROPANOICACID
CC(C)(C)C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)(N+)(=O)(O)
OC(=O)CC(c1ccc(cc1)C(C)(C)C)NC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl
Registry IDs
MFCD03821262ZINC000004653243
ZINC000004653245
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