Vitas-M small molecule compound

2-[(5Z)-5-{[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate

Catalog ID
STK794359
SMILES CC(=O)Oc1ccccc1c1nc2n(n1)c(=O)/c(=C/c1cn(nc1c1ccc(cc1)Br)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 C28H18BrN5O3S MW 584.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18BrN5O3S/c1-17(35)37-23-10-6-5-9-22(23)26-30-28-34(32-26)27(36)24(38-28)15-19-16-33(21-7-3-2-4-8-21)31-25(19)18-11-13-20(29)14-12-18/h2-16H,1H3/b24-15-
InChIKey
VNIWLIOCMVENTD-IWIPYMOSSA-N
Synonyms
385391-13-9
(2((5Z)5((3(4BROMOPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)6OXO(13)THIAZOLO(32B)(124)TRIAZOL2YL)PHENYL)ACETATE
(Z)2(5((3(4bromophenyl)1phenyl1Hpyrazol4yl)methylene)6oxo56dihydrothiazolo(32b)(124)triazol2yl)phenylacetate
2((5Z)5((3(4bromophenyl)1phenyl1Hpyrazol4yl)methylidene)6oxo56dihydro(13)thiazolo(32b)(124)triazol2yl)phenylacetate
385391139
CC(=O)OC1=CC=CC=C1C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)Br)C6=CC=CC=C6)SC3=N2
CC(=O)Oc1ccccc1c1nc2n(n1)c(=O)c(=Cc1cn(nc1c1ccc(cc1)Br)c1ccccc1)s2
InChI=1SC28H18BrN5O3Sc117(35)37231065922(23)26302834(3226)27(36)24(3828)15191633(217324821)3125(19)18111320(29)141218h216H1H3b2415
MFCD03017197
ZINC000001901682
ZINC01901682
ZINC1901682

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Available files

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