Vitas-M small molecule compound
5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl 4-methoxybenzoate
Catalog ID
STL383516
SMILES COc1ccc(cc1)C(=O)Oc1cc(ccc1OC)/C=C(/c1nc2c(s1)cccc2)\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 C25H18N2O4S MW 442.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O4S/c1-29-19-10-8-17(9-11-19)25(28)31-22-14-16(7-12-21(22)30-2)13-18(15-26)24-27-20-5-3-4-6-23(20)32-24/h3-14H,1-2H3/b18-13+InChIKey
JRBGEOPXZCBJQV-QGOAFFKASA-NSynonyms
(5((E)2(13benzothiazol2yl)2cyanoethenyl)2methoxyphenyl)4methoxybenzoate
5((E)2(13benzothiazol2yl)2cyanoethenyl)2methoxyphenyl4methoxybenzoate
COC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C=C(C#N)C3=NC4=CC=CC=C4S3)OC
COc1ccc(cc1)C(=O)Oc1cc(ccc1OC)C=C(c1nc2c(s1)cccc2)C#N
InChI=1SC25H18N2O4Sc1291910817(91119)25(28)31221416(71221(22)302)1318(1526)242720534623(20)3224h314H12H3b1813+
MFCD28950813
ZINC000098087139
ZINC98087139
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