Vitas-M small molecule compound
methyl {5-amino-6-cyano-7-(2,6-difluorophenyl)-8-[(3,4-dimethylphenyl)carbamoyl]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl}acetate
Catalog ID
STL440543
SMILES COC(=O)CC1SC2=C(C(=O)Nc3ccc(c(c3)C)C)C(C(=C(N2C1=O)N)C#N)c1c(F)cccc1F
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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 C26H22F2N4O4S MW 524.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22F2N4O4S/c1-12-7-8-14(9-13(12)2)31-24(34)22-20(21-16(27)5-4-6-17(21)28)15(11-29)23(30)32-25(35)18(37-26(22)32)10-19(33)36-3/h4-9,18,20H,10,30H2,1-3H3,(H,31,34)InChIKey
HBXDFQQCULWIMW-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)C2=C3N(C(=O)C(S3)CC(=O)OC)C(=C(C2C4=C(C=CC=C4F)F)C#N)N)C
InChI=1SC26H22F2N4O4Sc1127814(913(12)2)3124(34)2220(2116(27)54617(21)28)15(1129)23(30)3225(35)18(3726(22)32)1019(33)363h491820H1030H213H3(H3134)
methyl(5amino6cyano7(26difluorophenyl)8((34dimethylphenyl)carbamoyl)3oxo23dihydro7H(13)thiazolo(32a)pyridin2yl)acetate
METHYL2(5AMINO6CYANO7(26DIFLUOROPHENYL)8((34DIMETHYLPHENYL)CARBAMOYL)3OXO7H(13)THIAZOLO(32A)PYRIDIN2YL)ACETATE
METHYL2(5AMINO6CYANO7(26DIFLUOROPHENYL)8(34DIMETHYLPHENYLCARBAMOYL)3OXO37DIHYDRO2HTHIAZOLO(32A)PYRIDIN2YL)ACETATE
MFCD06242243
ZINC000003770455
ZINC000003770458
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.