Vitas-M small molecule compound
(2E)-4-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-4-oxobut-2-enoic acid
Catalog ID
STK167568
SMILES OC(=O)/C=C/C(=O)NC1=Nc2ccccc2N=C(C1c1ccccc1)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 C20H17N3O3 MW 347.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O3/c1-13-19(14-7-3-2-4-8-14)20(23-17(24)11-12-18(25)26)22-16-10-6-5-9-15(16)21-13/h2-12,19H,1H3,(H,25,26)(H,22,23,24)/b12-11+InChIKey
OOEBMBVFKDEHLL-VAWYXSNFSA-NSynonyms
724780-36-3(2E)4((4METHYL3PHENYL3H15BENZODIAZEPIN2YL)AMINO)4OXOBUT2ENOICACID
(E)3(4METHYL3PHENYL3HBENZO(B)(14)DIAZEPIN2YLCARBAMOYL)ACRYLICACID
(E)4((2METHYL3PHENYL3H15BENZODIAZEPIN4YL)AMINO)4OXOBUT2ENOICACID
(E)4((4methyl3phenyl3Hbenzo(b)(14)diazepin2yl)amino)4oxobut2enoicacid
724780363
CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)C=CC(=O)O
InChI=1SC20H17N3O3c11319(147324814)20(2317(24)111218(25)26)22161065915(16)2113h21219H1H3(H2526)(H222324)b1211+
MFCD03904428
OC(=O)C=CC(=O)NC1=Nc2ccccc2N=C(C1c1ccccc1)C
ZINC000018266863
ZINC000018266866
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