Vitas-M small molecule compound
4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-iodo-6-methoxyphenyl benzoate
Catalog ID
STL383510
SMILES N#C/C(=C\c1cc(I)c(c(c1)OC)OC(=O)c1ccccc1)/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 C24H15IN2O3S MW 538.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H15IN2O3S/c1-29-20-13-15(11-17(14-26)23-27-19-9-5-6-10-21(19)31-23)12-18(25)22(20)30-24(28)16-7-3-2-4-8-16/h2-13H,1H3/b17-11+InChIKey
QFYCOMXSAUHYHX-GZTJUZNOSA-NSynonyms
(4((E)2(13BENZOTHIAZOL2YL)2CYANOETHENYL)2IODO6METHOXYPHENYL)BENZOATE
4((E)2(13benzothiazol2yl)2cyanoethenyl)2iodo6methoxyphenylbenzoate
COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)I)OC(=O)C4=CC=CC=C4
InChI=1SC24H15IN2O3Sc129201315(1117(1426)2327199561021(19)3123)1218(25)22(20)3024(28)167324816h213H1H3b1711+
MFCD03478422
N#CC(=Cc1cc(I)c(c(c1)OC)OC(=O)c1ccccc1)c1nc2c(s1)cccc2
ZINC000102934328
ZINC102934328
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