Vitas-M small molecule compound
2,4-dibromo-6-[(E)-{2-[(2E)-2-[(phenylcarbonyl)amino]-3-(thiophen-2-yl)prop-2-enoyl]hydrazinylidene}methyl]phenyl 3-fluorobenzoate
Catalog ID
STK672016
SMILES Fc1cccc(c1)C(=O)Oc1c(/C=N/NC(=O)/C(=C\c2cccs2)/NC(=O)c2ccccc2)cc(cc1Br)Br
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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 C28H18Br2FN3O4S MW 671.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18Br2FN3O4S/c29-20-12-19(25(23(30)14-20)38-28(37)18-8-4-9-21(31)13-18)16-32-34-27(36)24(15-22-10-5-11-39-22)33-26(35)17-6-2-1-3-7-17/h1-16H,(H,33,35)(H,34,36)/b24-15+,32-16+InChIKey
AWNISFMLTOFHNJ-NLAWBRAHSA-NSynonyms
(2((E)(((E)2benzamido3thiophen2ylprop2enoyl)hydrazinylidene)methyl)46dibromophenyl)3fluorobenzoate
24dibromo6((E)(2((2E)2((phenylcarbonyl)amino)3(thiophen2yl)prop2enoyl)hydrazinylidene)methyl)phenyl3fluorobenzoate
C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CS2)C(=O)NN=CC3=CC(=CC(=C3OC(=O)C4=CC(=CC=C4)F)Br)Br
Fc1cccc(c1)C(=O)Oc1c(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)cc(cc1Br)Br
InChI=1SC28H18Br2FN3O4Sc29201219(25(23(30)1420)3828(37)1884921(31)1318)16323427(36)24(1522105113922)3326(35)176213717h116H(H3335)(H3436)b2415+3216+
MFCD00822174
ZINC000150352707
ZINC150563403
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