Vitas-M small molecule compound
methyl [5-amino-8-(benzylcarbamoyl)-6-cyano-7-(3-fluorophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate
Catalog ID
STL447677
SMILES COC(=O)CC1SC2=C(C(=O)NCc3ccccc3)C(C(=C(N2C1=O)N)C#N)c1cccc(c1)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 C25H21FN4O4S MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN4O4S/c1-34-19(31)11-18-24(33)30-22(28)17(12-27)20(15-8-5-9-16(26)10-15)21(25(30)35-18)23(32)29-13-14-6-3-2-4-7-14/h2-10,18,20H,11,13,28H2,1H3,(H,29,32)InChIKey
XXQRSQDHSFKRNN-UHFFFAOYSA-NSynonyms
COC(=O)CC1C(=O)N2C(=C(C(C(=C2S1)C(=O)NCC3=CC=CC=C3)C4=CC(=CC=C4)F)C#N)N
InChI=1SC25H21FN4O4Sc13419(31)111824(33)3022(28)17(1227)20(1585916(26)1015)21(25(30)3518)23(32)2913146324714h2101820H111328H21H3(H2932)
methyl(5amino8(benzylcarbamoyl)6cyano7(3fluorophenyl)3oxo23dihydro7H(13)thiazolo(32a)pyridin2yl)acetate
METHYL2(5AMINO8((BENZYLAMINO)CARBONYL)6CYANO7(3FLUOROPHENYL)3OXO23DIHYDRO7H(13)THIAZOLO(32A)PYRIDIN2YL)ACETATE
METHYL2(5AMINO8(BENZYLCARBAMOYL)6CYANO7(3FLUOROPHENYL)3OXO7H(13)THIAZOLO(32A)PYRIDIN2YL)ACETATE
MFCD06242189
ZINC000003770037
ZINC000003770040
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