Vitas-M small molecule compound
methyl {5-amino-6-cyano-8-[(2,4-dimethylphenyl)carbamoyl]-7-(3-fluorophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl}acetate
Catalog ID
STL440371
SMILES COC(=O)CC1SC2=C(C(=O)Nc3ccc(cc3C)C)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 C26H23FN4O4S MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23FN4O4S/c1-13-7-8-18(14(2)9-13)30-24(33)22-21(15-5-4-6-16(27)10-15)17(12-28)23(29)31-25(34)19(36-26(22)31)11-20(32)35-3/h4-10,19,21H,11,29H2,1-3H3,(H,30,33)InChIKey
CIXGNMRARWUXNA-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)NC(=O)C2=C3N(C(=O)C(S3)CC(=O)OC)C(=C(C2C4=CC(=CC=C4)F)C#N)N)C
InChI=1SC26H23FN4O4Sc1137818(14(2)913)3024(33)2221(1554616(27)1015)17(1228)23(29)3125(34)19(3626(22)31)1120(32)353h4101921H1129H213H3(H3033)
methyl(5amino6cyano8((24dimethylphenyl)carbamoyl)7(3fluorophenyl)3oxo23dihydro7H(13)thiazolo(32a)pyridin2yl)acetate
METHYL2(5AMINO6CYANO8((24DIMETHYLPHENYL)CARBAMOYL)7(3FLUOROPHENYL)3OXO7H(13)THIAZOLO(32A)PYRIDIN2YL)ACETATE
METHYL2(5AMINO6CYANO8(24DIMETHYLPHENYLCARBAMOYL)7(3FLUOROPHENYL)3OXO37DIHYDRO2HTHIAZOLO(32A)PYRIDIN2YL)ACETATE
MFCD06242235
ZINC000003770423
ZINC000003770426
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