Vitas-M small molecule compound
(5Z)-5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-fluorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK704746
SMILES Fc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1cn(nc1c1ccc3c(c1)OCCO3)c1ccccc1)/s2
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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 C28H18FN5O3S MW 523.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18FN5O3S/c29-20-9-6-17(7-10-20)26-30-28-34(32-26)27(35)24(38-28)15-19-16-33(21-4-2-1-3-5-21)31-25(19)18-8-11-22-23(14-18)37-13-12-36-22/h1-11,14-16H,12-13H2/b24-15-InChIKey
KIMHWJQUHCGUFR-IWIPYMOSSA-NSynonyms
(5Z)5((3(23dihydro14benzodioxin6yl)1phenyl1Hpyrazol4yl)methylidene)2(4fluorophenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(23DIHYDRO14BENZODIOXIN6YL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(4FLUOROPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4C(=O)N5C(=NC(=N5)C6=CC=C(C=C6)F)S4)C7=CC=CC=C7
Fc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1cn(nc1c1ccc3c(c1)OCCO3)c1ccccc1)s2
InChI=1SC28H18FN5O3Sc29209617(71020)26302834(3226)27(35)24(3828)15191633(214213521)3125(19)188112223(1418)3713123622h1111416H1213H2b2415
MFCD04446624
ZINC000003637427
ZINC3637427
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