Vitas-M small molecule compound

3-(4-tert-butylphenyl)-3-{[(2-methyl-3-nitrophenyl)carbonyl]amino}propanoic acid

Catalog ID
STK683975
SMILES OC(=O)CC(c1ccc(cc1)C(C)(C)C)NC(=O)c1cccc(c1C)[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 C21H24N2O5 MW 384.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O5/c1-13-16(6-5-7-18(13)23(27)28)20(26)22-17(12-19(24)25)14-8-10-15(11-9-14)21(2,3)4/h5-11,17H,12H2,1-4H3,(H,22,26)(H,24,25)
InChIKey
MEFVZYJIERFYIM-UHFFFAOYSA-N
Synonyms

(3R)3(4TERTBUTYLPHENYL)3((2METHYL3NITROBENZOYL)AMINO)PROPANOICACID
(3S)3(4TERTBUTYLPHENYL)3((2METHYL3NITROBENZOYL)AMINO)PROPANOICACID
3(4tertbutylphenyl)3(((2methyl3nitrophenyl)carbonyl)amino)propanoicacid
3(4TERTBUTYLPHENYL)3((2METHYL3NITROBENZOYL)AMINO)PROPANOICACID
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC(CC(=O)O)C2=CC=C(C=C2)C(C)(C)C
InChI=1SC21H24N2O5c11316(65718(13)23(27)28)20(26)2217(1219(24)25)1481015(11914)21(23)4h51117H12H214H3(H2226)(H2425)
MFCD05259248
OC(=O)CC(c1ccc(cc1)C(C)(C)C)NC(=O)c1cccc(c1C)(N+)(=O)(O)
ZINC000004689756
ZINC000004689757

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Available files

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