Vitas-M small molecule compound
methyl 6-amino-7-cyano-9-[(3,4-dimethylphenyl)carbamoyl]-8-(4-fluorophenyl)-4-oxo-4H,8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate
Catalog ID
STL437694
SMILES N#CC1=C(N)n2c(=C(C1c1ccc(cc1)F)C(=O)Nc1ccc(c(c1)C)C)sc(cc2=O)C(=O)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 C26H21FN4O4S MW 504.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21FN4O4S/c1-13-4-9-17(10-14(13)2)30-24(33)22-21(15-5-7-16(27)8-6-15)18(12-28)23(29)31-20(32)11-19(26(34)35-3)36-25(22)31/h4-11,21H,29H2,1-3H3,(H,30,33)InChIKey
URAVRHWJCXRALC-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)C2=C3N(C(=O)C=C(S3)C(=O)OC)C(=C(C2C4=CC=C(C=C4)F)C#N)N)C
InChI=1SC26H21FN4O4Sc1134917(1014(13)2)3024(33)2221(155716(27)8615)18(1228)23(29)3120(32)1119(26(34)353)3625(22)31h41121H29H213H3(H3033)
methyl6amino7cyano9((34dimethylphenyl)carbamoyl)8(4fluorophenyl)4oxo4H8Hpyrido(21b)(13)thiazine2carboxylate
METHYL6AMINO7CYANO9((34DIMETHYLPHENYL)CARBAMOYL)8(4FLUOROPHENYL)4OXO8HPYRIDO(21B)(13)THIAZINE2CARBOXYLATE
METHYL6AMINO7CYANO9(34DIMETHYLPHENYLCARBAMOYL)8(4FLUOROPHENYL)4OXO48DIHYDROPYRIDO(21B)(13)THIAZINE2CARBOXYLATE
MFCD06244075
ZINC000003771936
ZINC000003771937
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