Vitas-M small molecule compound
(2E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-[3,5-dibromo-4-(prop-2-yn-1-yloxy)phenyl]prop-2-enamide
Catalog ID
STK185232
SMILES N#C/C(=C\c1cc(Br)c(c(c1)Br)OCC#C)/C(=O)Nc1cccc(c1C)Cl
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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 C20H13Br2ClN2O2 MW 508.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13Br2ClN2O2/c1-3-7-27-19-15(21)9-13(10-16(19)22)8-14(11-24)20(26)25-18-6-4-5-17(23)12(18)2/h1,4-6,8-10H,7H2,2H3,(H,25,26)/b14-8+InChIKey
NAKAGKKORCKYQY-RIYZIHGNSA-NSynonyms
(2E)N(3CHLORO2METHYLPHENYL)2CYANO3(35DIBROMO4(PROP2YN1YLOXY)PHENYL)PROP2ENAMIDE
(E)N(3chloro2methylphenyl)2cyano3(35dibromo4prop2ynoxyphenyl)prop2enamide
CC1=C(C=CC=C1Cl)NC(=O)C(=CC2=CC(=C(C(=C2)Br)OCC#C)Br)C#N
InChI=1SC20H13Br2ClN2O2c137271915(21)913(1016(19)22)814(1124)20(26)251864517(23)12(18)2h146810H7H22H3(H2526)b148+
MFCD03729361
N#CC(=Cc1cc(Br)c(c(c1)Br)OCC#C)C(=O)Nc1cccc(c1C)Cl
ZINC000009322193
ZINC09322193
ZINC9322193
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