Vitas-M small molecule compound
methyl (2Z)-[5-amino-6-cyano-7-(2,4-dimethoxyphenyl)-8-(methylcarbamoyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2(3H)-ylidene]ethanoate
Catalog ID
STL485337
SMILES COC(=O)/C=c/1\sc2=C(C(=O)NC)C(C(=C(n2c1=O)N)C#N)c1ccc(cc1OC)OC
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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 C21H20N4O6S MW 456.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O6S/c1-24-19(27)17-16(11-6-5-10(29-2)7-13(11)30-3)12(9-22)18(23)25-20(28)14(32-21(17)25)8-15(26)31-4/h5-8,16H,23H2,1-4H3,(H,24,27)/b14-8-InChIKey
DKAJASMJMHCKAI-ZSOIEALJSA-NSynonyms
CNC(=O)C1=C2N(C(=C(C1C3=C(C=C(C=C3)OC)OC)C#N)N)C(=O)C(=CC(=O)OC)S2
COC(=O)C=c1sc2=C(C(=O)NC)C(C(=C(n2c1=O)N)C#N)c1ccc(cc1OC)OC
InChI=1SC21H20N4O6Sc12419(27)1716(116510(292)713(11)303)12(922)18(23)2520(28)14(3221(17)25)815(26)314h5816H23H214H3(H2427)b148
methyl(2Z)(5amino6cyano7(24dimethoxyphenyl)8(methylcarbamoyl)3oxo7H(13)thiazolo(32a)pyridin2(3H)ylidene)ethanoate
methyl(2Z)2(5amino6cyano7(24dimethoxyphenyl)8(methylcarbamoyl)3oxo7H(13)thiazolo(32a)pyridin2ylidene)acetate
MFCD08273203
ZINC000008756154
ZINC000008756160
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Check stock on Vitas-MAvailable files
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