Vitas-M small molecule compound

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

Catalog ID
STK702875
SMILES CC(Oc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)Br)c1ccccc1)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 C29H22BrN5O2S MW 584.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22BrN5O2S/c1-18(2)37-24-14-10-19(11-15-24)26-21(17-34(32-26)23-6-4-3-5-7-23)16-25-28(36)35-29(38-25)31-27(33-35)20-8-12-22(30)13-9-20/h3-18H,1-2H3/b25-16-
InChIKey
QLROXOCRLQVQRH-XYGWBWBKSA-N
Synonyms

(5Z)2(4bromophenyl)5((1phenyl3(4(propan2yloxy)phenyl)1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4BROMOPHENYL)5((1PHENYL3(4PROPAN2YLOXYPHENYL)PYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)2(4bromophenyl)5((3(4isopropoxyphenyl)1phenyl1Hpyrazol4yl)methylene)thiazolo(32b)(124)triazol6(5H)one
2(4BROMOPHENYL)5((3(4(METHYLETHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLENE)13THIAZOLIDINO(32D)124TRIAZOL6ONE
CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)Br)S3)C6=CC=CC=C6
CC(Oc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)Br)c1ccccc1)C
InChI=1SC29H22BrN5O2Sc118(2)3724141019(111524)2621(1734(3226)236435723)162528(36)3529(3825)3127(3335)2081222(30)13920h318H12H3b2516
MFCD02998267
ZINC000098000097
ZINC98000097

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Available files

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