Vitas-M small molecule compound
methyl (2Z)-{5-amino-6-cyano-8-[(2,4-dimethylphenyl)carbamoyl]-7-(4-fluorophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2(3H)-ylidene}ethanoate
Catalog ID
STL447768
SMILES COC(=O)/C=c/1\sc2=C(C(=O)Nc3ccc(cc3C)C)C(C(=C(n2c1=O)N)C#N)c1ccc(cc1)F
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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/c1-13-4-9-18(14(2)10-13)30-24(33)22-21(15-5-7-16(27)8-6-15)17(12-28)23(29)31-25(34)19(36-26(22)31)11-20(32)35-3/h4-11,21H,29H2,1-3H3,(H,30,33)/b19-11-InChIKey
JMBSHYOSBGZWBN-ODLFYWEKSA-NSynonyms
CC1=CC(=C(C=C1)NC(=O)C2=C3N(C(=C(C2C4=CC=C(C=C4)F)C#N)N)C(=O)C(=CC(=O)OC)S3)C
COC(=O)C=c1sc2=C(C(=O)Nc3ccc(cc3C)C)C(C(=C(n2c1=O)N)C#N)c1ccc(cc1)F
InChI=1SC26H21FN4O4Sc1134918(14(2)1013)3024(33)2221(155716(27)8615)17(1228)23(29)3125(34)19(3626(22)31)1120(32)353h41121H29H213H3(H3033)b1911
methyl(2Z)(5amino6cyano8((24dimethylphenyl)carbamoyl)7(4fluorophenyl)3oxo7H(13)thiazolo(32a)pyridin2(3H)ylidene)ethanoate
METHYL(2Z)2(5AMINO6CYANO8((24DIMETHYLPHENYL)CARBAMOYL)7(4FLUOROPHENYL)3OXO7H(13)THIAZOLO(32A)PYRIDIN2YLIDENE)ACETATE
MFCD06242178
ZINC000003769884
ZINC000003769886
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