Vitas-M small molecule compound
4-({2-bromo-4-[(1E)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl]phenoxy}methyl)benzoic acid
Catalog ID
STK180952
SMILES N#C/C(=C\c1ccc(c(c1)Br)OCc1ccc(cc1)C(=O)O)/C(=O)Nc1ccc2c(c1)cccc2
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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 C28H19BrN2O4 MW 527.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19BrN2O4/c29-25-14-19(7-12-26(25)35-17-18-5-8-21(9-6-18)28(33)34)13-23(16-30)27(32)31-24-11-10-20-3-1-2-4-22(20)15-24/h1-15H,17H2,(H,31,32)(H,33,34)/b23-13+InChIKey
CVSSYUPQTKTWRL-YDZHTSKRSA-NSynonyms
4((2BROMO4((1E)2CYANO3(NAPHTHALEN2YLAMINO)3OXOPROP1EN1YL)PHENOXY)METHYL)BENZOICACID
4((2BROMO4((E)2CYANO3(NAPHTHALEN2YLAMINO)3OXOPROP1ENYL)PHENOXY)METHYL)BENZOICACID
C1=CC=C2C=C(C=CC2=C1)NC(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)Br)C#N
InChI=1SC28H19BrN2O4c29251419(71226(25)3517185821(9618)28(33)34)1323(1630)27(32)3124111020312422(20)1524h115H17H2(H3132)(H3334)b2313+
MFCD03228561
N#CC(=Cc1ccc(c(c1)Br)OCc1ccc(cc1)C(=O)O)C(=O)Nc1ccc2c(c1)cccc2
ZINC000097960816
ZINC97960816
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