Vitas-M small molecule compound
2,5-bis{[bis(2-chloroethyl)amino]methyl}-1,6-bis[4-(pentyloxy)phenyl]hexane-1,6-dione
Catalog ID
STL040812
SMILES ClCCN(CC(C(=O)c1ccc(cc1)OCCCCC)CCC(C(=O)c1ccc(cc1)OCCCCC)CN(CCCl)CCCl)CCCl
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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 C38H56Cl4N2O4 MW 746.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H56Cl4N2O4/c1-3-5-7-27-47-35-15-11-31(12-16-35)37(45)33(29-43(23-19-39)24-20-40)9-10-34(30-44(25-21-41)26-22-42)38(46)32-13-17-36(18-14-32)48-28-8-6-4-2/h11-18,33-34H,3-10,19-30H2,1-2H3InChIKey
VDMCTCFDOHIDHX-UHFFFAOYSA-NSynonyms
25bis((bis(2chloroethyl)amino)methyl)16bis(4(pentyloxy)phenyl)hexane16dione
25BIS(BIS(2CHLOROETHYL)AMINOMETHYL)16BIS(4PENTOXYPHENYL)HEXANE16DIONE
CCCCCOC1=CC=C(C=C1)C(=O)C(CCC(CN(CCCl)CCCl)C(=O)C2=CC=C(C=C2)OCCCCC)CN(CCCl)CCCl
InChI=1SC38H56Cl4N2O4c1357274735151131(121635)37(45)33(2943(231939)242040)91034(3044(252141)262242)38(46)32131736(181432)48288642h11183334H3101930H212H3
MFCD00699553
ZINC000150445331
ZINC000150445338
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