Vitas-M small molecule compound
4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl naphthalene-1-carboxylate
Catalog ID
STK522872
SMILES N#C/C(=C\c1ccc(c(c1)OC)OC(=O)c1cccc2c1cccc2)/c1nc2c(s1)cccc2
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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 C28H18N2O3S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18N2O3S/c1-32-25-16-18(15-20(17-29)27-30-23-11-4-5-12-26(23)34-27)13-14-24(25)33-28(31)22-10-6-8-19-7-2-3-9-21(19)22/h2-16H,1H3/b20-15+InChIKey
WCYZQRZZAALKQN-HMMYKYKNSA-NSynonyms
(4((E)2(13BENZOTHIAZOL2YL)2CYANOETHENYL)2METHOXYPHENYL)NAPHTHALENE1CARBOXYLATE
4((E)2(13benzothiazol2yl)2cyanoethenyl)2methoxyphenylnaphthalene1carboxylate
COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CC5=CC=CC=C54
InChI=1SC28H18N2O3Sc132251618(1520(1729)27302311451226(23)3427)131424(25)3328(31)22106819723921(19)22h216H1H3b2015+
MFCD03217484
N#CC(=Cc1ccc(c(c1)OC)OC(=O)c1cccc2c1cccc2)c1nc2c(s1)cccc2
ZINC000015277319
ZINC15277319
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