Vitas-M small molecule compound

(5Z)-5-[4-(benzyloxy)-3-methoxybenzylidene]-2-(2-bromophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK817551
SMILES COc1cc(ccc1OCc1ccccc1)/C=c/1\sc2n(c1=O)nc(n2)c1ccccc1Br

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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 C25H18BrN3O3S MW 520.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18BrN3O3S/c1-31-21-13-17(11-12-20(21)32-15-16-7-3-2-4-8-16)14-22-24(30)29-25(33-22)27-23(28-29)18-9-5-6-10-19(18)26/h2-14H,15H2,1H3/b22-14-
InChIKey
QBNGDBMRBYCWPS-HMAPJEAMSA-N
Synonyms
841211-29-8
(5Z)2(2BROMOPHENYL)5((3METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4(benzyloxy)3methoxybenzylidene)2(2bromophenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)5(4(benzyloxy)3methoxybenzylidene)2(2bromophenyl)thiazolo(32b)(124)triazol6(5H)one
841211298
COC1=C(C=CC(=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CC=C4Br)S2)OCC5=CC=CC=C5
COc1cc(ccc1OCc1ccccc1)C=c1sc2n(c1=O)nc(n2)c1ccccc1Br
InChI=1SC25H18BrN3O3Sc131211317(111220(21)3215167324816)142224(30)2925(3322)2723(2829)189561019(18)26h214H15H21H3b2214
MFCD04012036
ZINC000100903537
ZINC100903537

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Available files

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