Vitas-M small molecule compound
4-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-2-chloro-6-ethoxyphenyl 4-methoxybenzoate
Catalog ID
STK380514
SMILES CCOc1cc(/C=N/NC(=O)CSc2nc3c(o2)cccc3)cc(c1OC(=O)c1ccc(cc1)OC)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 C26H22ClN3O6S MW 540.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O6S/c1-3-34-22-13-16(12-19(27)24(22)36-25(32)17-8-10-18(33-2)11-9-17)14-28-30-23(31)15-37-26-29-20-6-4-5-7-21(20)35-26/h4-14H,3,15H2,1-2H3,(H,30,31)/b28-14+InChIKey
KAHSNLWHKCCVHM-CCVNUDIWSA-NSynonyms
(4((E)((2(13benzoxazol2ylsulfanyl)acetyl)hydrazinylidene)methyl)2chloro6ethoxyphenyl)4methoxybenzoate
4((1E)2(2BENZOXAZOL2YLTHIOACETYLAMINO)2AZAVINYL)2CHLORO6ETHOXYPHENYL4METHOXYBENZOATE
4((E)(2((13benzoxazol2ylsulfanyl)acetyl)hydrazinylidene)methyl)2chloro6ethoxyphenyl4methoxybenzoate
CCOC1=C(C(=CC(=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3O2)Cl)OC(=O)C4=CC=C(C=C4)OC
CCOc1cc(C=NNC(=O)CSc2nc3c(o2)cccc3)cc(c1OC(=O)c1ccc(cc1)OC)Cl
InChI=1SC26H22ClN3O6Sc1334221316(1219(27)24(22)3625(32)1781018(332)11917)14283023(31)1537262920645721(20)3526h414H315H212H3(H3031)b2814+
MFCD02188371
ZINC000097962978
ZINC100232289
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