Vitas-M small molecule compound
methyl (2Z)-2-{[(4-tert-butylphenyl)carbonyl]amino}-3-(3-nitrophenyl)prop-2-enoate
Catalog ID
STK381967
SMILES COC(=O)/C(=C/c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccc(cc1)C(C)(C)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 C21H22N2O5 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5/c1-21(2,3)16-10-8-15(9-11-16)19(24)22-18(20(25)28-4)13-14-6-5-7-17(12-14)23(26)27/h5-13H,1-4H3,(H,22,24)/b18-13-InChIKey
AOPAEGATMWFQAF-AQTBWJFISA-NSynonyms
CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)(N+)(=O)(O))C(=O)OC
COC(=O)C(=Cc1cccc(c1)(N+)(=O)(O))NC(=O)c1ccc(cc1)C(C)(C)C
InChI=1SC21H22N2O5c121(23)1610815(91116)19(24)2218(20(25)284)131465717(1214)23(26)27h513H14H3(H2224)b1813
methyl(2Z)2(((4tertbutylphenyl)carbonyl)amino)3(3nitrophenyl)prop2enoate
METHYL(2Z)2((4(TERTBUTYL)PHENYL)CARBONYLAMINO)3(3NITROPHENYL)PROP2ENOATE
METHYL(Z)2((4TERTBUTYLBENZOYL)AMINO)3(3NITROPHENYL)PROP2ENOATE
MFCD03037029
ZINC000004526204
ZINC04526204
ZINC4526204
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