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-methylbenzoate
Catalog ID
STK670238
SMILES Cc1cccc(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 C29H21Br2N3O4S MW 667.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21Br2N3O4S/c1-18-7-5-10-20(13-18)29(37)38-26-21(14-22(30)15-24(26)31)17-32-34-28(36)25(16-23-11-6-12-39-23)33-27(35)19-8-3-2-4-9-19/h2-17H,1H3,(H,33,35)(H,34,36)/b25-16+,32-17+InChIKey
LBONZWZOOFMILB-NKNZXHOOSA-NSynonyms
(2((E)(((E)2benzamido3thiophen2ylprop2enoyl)hydrazinylidene)methyl)46dibromophenyl)3methylbenzoate
24dibromo6((E)(2((2E)2((phenylcarbonyl)amino)3(thiophen2yl)prop2enoyl)hydrazinylidene)methyl)phenyl3methylbenzoate
CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2C=NNC(=O)C(=CC3=CC=CS3)NC(=O)C4=CC=CC=C4)Br)Br
Cc1cccc(c1)C(=O)Oc1c(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)cc(cc1Br)Br
InChI=1SC29H21Br2N3O4Sc118751020(1318)29(37)382621(1422(30)1524(26)31)17323428(36)25(1623116123923)3327(35)198324919h217H1H3(H3335)(H3436)b2516+3217+
MFCD00313842
ZINC000150350171
ZINC150574599
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