Vitas-M small molecule compound
N-{(2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}valine
Catalog ID
STK526686
SMILES CC(C(C(=O)O)NC(=O)/C(=C\c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccccc1)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 C21H21N3O6 MW 411.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O6/c1-13(2)18(21(27)28)23-20(26)17(22-19(25)15-8-4-3-5-9-15)12-14-7-6-10-16(11-14)24(29)30/h3-13,18H,1-2H3,(H,22,25)(H,23,26)(H,27,28)/b17-12+InChIKey
ONJOBRKDTHKTFV-SFQUDFHCSA-NSynonyms
(E)2(2benzamido3(3nitrophenyl)acrylamido)3methylbutanoicacid
2(((E)2BENZAMIDO3(3NITROPHENYL)PROP2ENOYL)AMINO)3METHYLBUTANOICACID
2(2BENZOYLAMINO3(3NITROPHENYL)ACRYLOYLAMINO)3METHYLBUTYRICACID
CC(C(C(=O)O)NC(=O)C(=Cc1cccc(c1)(N+)(=O)(O))NC(=O)c1ccccc1)C
CC(C)C(C(=O)O)NC(=O)C(=CC1=CC(=CC=C1)(N+)(=O)(O))NC(=O)C2=CC=CC=C2
InChI=1SC21H21N3O6c113(2)18(21(27)28)2320(26)17(2219(25)158435915)1214761016(1114)24(29)30h31318H12H3(H2225)(H2326)(H2728)b1712+
MFCD00699047
N((2E)3(3nitrophenyl)2((phenylcarbonyl)amino)prop2enoyl)valine
ZINC000004611178
ZINC000004611179
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