Vitas-M small molecule compound
(5Z)-5-[4-(heptyloxy)-3-methoxybenzylidene]-2-[(E)-2-phenylethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK800657
SMILES CCCCCCCOc1ccc(cc1OC)/C=c/1\sc2n(c1=O)nc(n2)/C=C/c1ccccc1
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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 C27H29N3O3S MW 475.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3S/c1-3-4-5-6-10-17-33-22-15-13-21(18-23(22)32-2)19-24-26(31)30-27(34-24)28-25(29-30)16-14-20-11-8-7-9-12-20/h7-9,11-16,18-19H,3-6,10,17H2,1-2H3/b16-14+,24-19-InChIKey
KFPJUIOBFLZJIB-LYUOLOSTSA-NSynonyms
(5Z)5((4heptoxy3methoxyphenyl)methylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6one
(5Z)5(4(heptyloxy)3methoxybenzylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C=CC4=CC=CC=C4)S2)OC
CCCCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)C=Cc1ccccc1
InChI=1SC27H29N3O3Sc1345610173322151321(1823(22)322)192426(31)3027(3424)2825(2930)161420118791220h7911161819H361017H212H3b1614+2419
MFCD06642908
ZINC000097946717
ZINC97946717
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