Vitas-M small molecule compound
2-methoxy-4-[(E)-{2-[(2,4,6-tribromophenoxy)acetyl]hydrazinylidene}methyl]phenyl thiophene-2-carboxylate
Catalog ID
STK002394
SMILES COc1cc(/C=N/NC(=O)COc2c(Br)cc(cc2Br)Br)ccc1OC(=O)c1cccs1
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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 C21H15Br3N2O5S MW 647.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15Br3N2O5S/c1-29-17-7-12(4-5-16(17)31-21(28)18-3-2-6-32-18)10-25-26-19(27)11-30-20-14(23)8-13(22)9-15(20)24/h2-10H,11H2,1H3,(H,26,27)/b25-10+InChIKey
NXSTUJNUKGZMOR-KIBLKLHPSA-NSynonyms
(2methoxy4((E)((2(246tribromophenoxy)acetyl)hydrazinylidene)methyl)phenyl)thiophene2carboxylate
2METHOXY4((E)(2((246TRIBROMOPHENOXY)ACETYL)HYDRAZINYLIDENE)METHYL)PHENYLTHIOPHENE2CARBOXYLATE
COC1=C(C=CC(=C1)C=NNC(=O)COC2=C(C=C(C=C2Br)Br)Br)OC(=O)C3=CC=CS3
COc1cc(C=NNC(=O)COc2c(Br)cc(cc2Br)Br)ccc1OC(=O)c1cccs1
InChI=1SC21H15Br3N2O5Sc12917712(4516(17)3121(28)183263218)10252619(27)11302014(23)813(22)915(20)24h210H11H21H3(H2627)b2510+
MFCD00786984
STK002394
ZINC000097957752
ZINC150575823
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