Vitas-M small molecule compound
4-cyanophenyl 2-chloro-4-{[(4-pentylphenyl)carbonyl]oxy}benzoate
Catalog ID
STK063074
SMILES CCCCCc1ccc(cc1)C(=O)Oc1ccc(c(c1)Cl)C(=O)Oc1ccc(cc1)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 C26H22ClNO4 MW 447.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClNO4/c1-2-3-4-5-18-6-10-20(11-7-18)25(29)32-22-14-15-23(24(27)16-22)26(30)31-21-12-8-19(17-28)9-13-21/h6-16H,2-5H2,1H3InChIKey
VMHZPWQTARQKDE-UHFFFAOYSA-NSynonyms
(4CYANOPHENYL)2CHLORO4(4PENTYLBENZOYL)OXYBENZOATE
4CYANOPHENYL2CHLORO4(((4PENTYLPHENYL)CARBONYL)OXY)BENZOATE
CCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)Cl
CCCCCc1ccc(cc1)C(=O)Oc1ccc(c(c1)Cl)C(=O)Oc1ccc(cc1)C#N
InChI=1SC26H22ClNO4c123451861020(11718)25(29)3222141523(24(27)1622)26(30)312112819(1728)91321h616H25H21H3
MFCD00601733
STK063074
ZINC000002022866
ZINC02022866
ZINC2022866
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