Vitas-M small molecule compound
3-chloro-4-cyanophenyl 2-chloro-4-{[(4-heptylphenyl)carbonyl]oxy}benzoate
Catalog ID
STK058568
SMILES CCCCCCCc1ccc(cc1)C(=O)Oc1ccc(c(c1)Cl)C(=O)Oc1ccc(c(c1)Cl)C#N
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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 C28H25Cl2NO4 MW 510.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25Cl2NO4/c1-2-3-4-5-6-7-19-8-10-20(11-9-19)27(32)34-23-14-15-24(26(30)17-23)28(33)35-22-13-12-21(18-31)25(29)16-22/h8-17H,2-7H2,1H3InChIKey
NJTMHQUJAVTPTD-UHFFFAOYSA-NSynonyms
(3CHLORO4CYANOPHENYL)2CHLORO4(4HEPTYLBENZOYL)OXYBENZOATE
3CHLORO4CYANOPHENYL2CHLORO4(((4HEPTYLPHENYL)CARBONYL)OXY)BENZOATE
CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)Cl)Cl
CCCCCCCc1ccc(cc1)C(=O)Oc1ccc(c(c1)Cl)C(=O)Oc1ccc(c(c1)Cl)C#N
InChI=1SC28H25Cl2NO4c12345671981020(11919)27(32)3423141524(26(30)1723)28(33)3522131221(1831)25(29)1622h817H27H21H3
MFCD00807412
STK058568
ZINC000003108549
ZINC3108549
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