Vitas-M small molecule compound
3-(4-tert-butylphenyl)-3-{[(2-chloro-5-nitrophenyl)carbonyl]amino}propanoic acid
Catalog ID
STK683143
SMILES OC(=O)CC(c1ccc(cc1)C(C)(C)C)NC(=O)c1cc(ccc1Cl)[N+](=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 C20H21ClN2O5 MW 404.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN2O5/c1-20(2,3)13-6-4-12(5-7-13)17(11-18(24)25)22-19(26)15-10-14(23(27)28)8-9-16(15)21/h4-10,17H,11H2,1-3H3,(H,22,26)(H,24,25)InChIKey
PRBIZAYDVSXFBD-UHFFFAOYSA-NSynonyms
3(4tertbutylphenyl)3(((2chloro5nitrophenyl)carbonyl)amino)propanoicacid
3(4TERTBUTYLPHENYL)3((2CHLORO5NITROBENZOYL)AMINO)PROPANOICACID
CC(C)(C)C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=C(C=CC(=C2)(N+)(=O)(O))Cl
InChI=1SC20H21ClN2O5c120(23)136412(5713)17(1118(24)25)2219(26)151014(23(27)28)8916(15)21h41017H11H213H3(H2226)(H2425)
MFCD05256882
OC(=O)CC(c1ccc(cc1)C(C)(C)C)NC(=O)c1cc(ccc1Cl)(N+)(=O)(O)
ZINC000004686018
ZINC000004686019
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