Vitas-M small molecule compound
(5E)-2-(4-bromophenyl)-5-[2-(pentyloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK703790
SMILES CCCCCOc1ccccc1/C=c\1/sc2n(c1=O)nc(n2)c1ccc(cc1)Br
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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 C22H20BrN3O2S MW 470.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3O2S/c1-2-3-6-13-28-18-8-5-4-7-16(18)14-19-21(27)26-22(29-19)24-20(25-26)15-9-11-17(23)12-10-15/h4-5,7-12,14H,2-3,6,13H2,1H3/b19-14+InChIKey
ZKXGBONXGIJVFG-XMHGGMMESA-NSynonyms
(5E)2(4BROMOPHENYL)5((2PENTOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)2(4bromophenyl)5(2(pentyloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)2(4bromophenyl)5(2(pentyloxy)benzylidene)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=CC=CC=C1C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Br)S2
CCCCCOc1ccccc1C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)Br
InChI=1SC22H20BrN3O2Sc1236132818854716(18)141921(27)2622(2919)2420(2526)1591117(23)121015h4571214H23613H21H3b1914+
MFCD04442633
ZINC000026503236
ZINC26503236
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