Vitas-M small molecule compound
methyl 6-amino-4-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]thiophen-2-yl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STK780619
SMILES COC(=O)C1=C(C)OC(=C(C1c1scc(c1)CSc1nc2c(s1)cccc2)C#N)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 C21H17N3O3S3 MW 455.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O3S3/c1-11-17(20(25)26-2)18(13(8-22)19(23)27-11)16-7-12(9-28-16)10-29-21-24-14-5-3-4-6-15(14)30-21/h3-7,9,18H,10,23H2,1-2H3InChIKey
AEUWEDLHUOEVEW-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CS2)CSC3=NC4=CC=CC=C4S3)C(=O)OC
InChI=1SC21H17N3O3S3c11117(20(25)262)18(13(822)19(23)2711)16712(92816)1029212414534615(14)3021h37918H1023H212H3
methyl6amino4(4((13benzothiazol2ylsulfanyl)methyl)thiophen2yl)5cyano2methyl4Hpyran3carboxylate
METHYL6AMINO4(4(13BENZOTHIAZOL2YLSULFANYLMETHYL)THIOPHEN2YL)5CYANO2METHYL4HPYRAN3CARBOXYLATE
MFCD06013403
ZINC000012402631
ZINC000012402632
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Check stock on Vitas-MAvailable files
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