Vitas-M small molecule compound
dimethyl 5,5'-[(1E,3E)-4-(dimethylamino)buta-1,3-diene-1,3-diyl]bis[3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate]
Catalog ID
STL442401
SMILES COC(=O)c1c(/C=C/C(=C\N(C)C)/c2onc(c2C(=O)OC)c2c(Cl)cccc2Cl)onc1c1c(Cl)cccc1Cl
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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 C28H21Cl4N3O6 MW 637.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21Cl4N3O6/c1-35(2)13-14(26-23(28(37)39-4)25(34-41-26)21-17(31)9-6-10-18(21)32)11-12-19-22(27(36)38-3)24(33-40-19)20-15(29)7-5-8-16(20)30/h5-13H,1-4H3/b12-11+,14-13+InChIKey
SKFBVBCEIVBFBW-LDHFCIDVSA-NSynonyms
CN(C)C=C(C=CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)OC)C3=C(C(=NO3)C4=C(C=CC=C4Cl)Cl)C(=O)OC
COC(=O)c1c(C=CC(=CN(C)C)c2onc(c2C(=O)OC)c2c(Cl)cccc2Cl)onc1c1c(Cl)cccc1Cl
dimethyl55((1E3E)4(dimethylamino)buta13diene13diyl)bis(3(26dichlorophenyl)12oxazole4carboxylate)
InChI=1SC28H21Cl4N3O6c135(2)1314(2623(28(37)394)25(344126)2117(31)961018(21)32)11121922(27(36)383)24(334019)2015(29)75816(20)30h513H14H3b1211+1413+
methyl3(26dichlorophenyl)5((1E3E)3(3(26dichlorophenyl)4methoxycarbonyl12oxazol5yl)4(dimethylamino)buta13dienyl)12oxazole4carboxylate
MFCD29709921
ZINC000097957331
ZINC97957331
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