Vitas-M small molecule compound
(2Z)-2-[3-({[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanyl}methyl)-4-methoxybenzylidene]-7-methyl-3-oxo-N,5-diphenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Catalog ID
STL173680
SMILES COc1ccc(cc1CSc1nc(cc(c1C#N)C)C(F)F)/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)Nc1ccccc1)C
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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 C37H29F2N5O3S2 MW 693.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H29F2N5O3S2/c1-21-16-28(33(38)39)43-35(27(21)19-40)48-20-25-17-23(14-15-29(25)47-3)18-30-36(46)44-32(24-10-6-4-7-11-24)31(22(2)41-37(44)49-30)34(45)42-26-12-8-5-9-13-26/h4-18,32-33H,20H2,1-3H3,(H,42,45)/b30-18-InChIKey
GBDWAVXDQRMNFK-YKQZZPSBSA-NSynonyms
445244-87-1(2Z)2((3((3CYANO6(DIFLUOROMETHYL)4METHYLPYRIDIN2YL)SULFANYLMETHYL)4METHOXYPHENYL)METHYLIDENE)7METHYL3OXON5DIPHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXAMIDE
(2Z)2(3(((3cyano6(difluoromethyl)4methylpyridin2yl)sulfanyl)methyl)4methoxybenzylidene)7methyl3oxoN5diphenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxamide
2(3(((3CYANO6(DIFLUOROMETHYL)4METHYL2PYRIDINYL)SULFANYL)METHYL)4METHOXYBENZYLIDENE)7METHYL3OXON5DIPHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXAMIDE
445244871
CC1=CC(=NC(=C1C#N)SCC2=C(C=CC(=C2)C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)NC5=CC=CC=C5)C6=CC=CC=C6)OC)C(F)F
COc1ccc(cc1CSc1nc(cc(c1C#N)C)C(F)F)C=c1sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)Nc1ccccc1)C
InChI=1SC37H29F2N5O3S2c1211628(33(38)39)4335(27(21)1940)4820251723(141529(25)473)183036(46)4432(24106471124)31(22(2)4137(44)4930)34(45)4226128591326h4183233H20H213H3(H4245)b3018
MFCD02243399
ZINC000008450869
ZINC000008450870
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