Vitas-M small molecule compound
methyl [5-amino-6-cyano-7-(4-fluorophenyl)-8-(naphthalen-2-ylcarbamoyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate
Catalog ID
STL447675
SMILES COC(=O)CC1SC2=C(C(=O)Nc3ccc4c(c3)cccc4)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 C28H21FN4O4S MW 528.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21FN4O4S/c1-37-22(34)13-21-27(36)33-25(31)20(14-30)23(16-6-9-18(29)10-7-16)24(28(33)38-21)26(35)32-19-11-8-15-4-2-3-5-17(15)12-19/h2-12,21,23H,13,31H2,1H3,(H,32,35)InChIKey
YUTRMMPSDCAOLE-UHFFFAOYSA-NSynonyms
COC(=O)CC1C(=O)N2C(=C(C(C(=C2S1)C(=O)NC3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)F)C#N)N
InChI=1SC28H21FN4O4Sc13722(34)132127(36)3325(31)20(1430)23(166918(29)10716)24(28(33)3821)26(35)321911815423517(15)1219h2122123H1331H21H3(H3235)
methyl(5amino6cyano7(4fluorophenyl)8(naphthalen2ylcarbamoyl)3oxo23dihydro7H(13)thiazolo(32a)pyridin2yl)acetate
METHYL2(5AMINO6CYANO7(4FLUOROPHENYL)8(NAPHTHALEN2YLCARBAMOYL)3OXO37DIHYDRO2HTHIAZOLO(32A)PYRIDIN2YL)ACETATE
METHYL2(5AMINO6CYANO7(4FLUOROPHENYL)8(NAPHTHALEN2YLCARBAMOYL)3OXO7H(13)THIAZOLO(32A)PYRIDIN2YL)ACETATE
MFCD06242228
ZINC000003770399
ZINC000003770402
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