Vitas-M small molecule compound
4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL017270
SMILES N#C/C(=C\c1ccc(c(c1)OC)OC(=O)c1csc2c1CCCC2)/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 C26H20N2O3S2 MW 472.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O3S2/c1-30-22-13-16(12-17(14-27)25-28-20-7-3-5-9-24(20)33-25)10-11-21(22)31-26(29)19-15-32-23-8-4-2-6-18(19)23/h3,5,7,9-13,15H,2,4,6,8H2,1H3/b17-12+InChIKey
DTVKUCFAYLOFDS-SFQUDFHCSA-NSynonyms
(4((E)2(13benzothiazol2yl)2cyanoethenyl)2methoxyphenyl)4567tetrahydro1benzothiophene3carboxylate
4((E)2(13benzothiazol2yl)2cyanoethenyl)2methoxyphenyl4567tetrahydro1benzothiophene3carboxylate
COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OC(=O)C4=CSC5=C4CCCC5
InChI=1SC26H20N2O3S2c130221316(1217(1427)252820735924(20)3325)101121(22)3126(29)19153223842618(19)23h35791315H2468H21H3b1712+
MFCD06346942
N#CC(=Cc1ccc(c(c1)OC)OC(=O)c1csc2c1CCCC2)c1nc2c(s1)cccc2
ZINC000012273694
ZINC12273694
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