Vitas-M small molecule compound

(5Z)-5-[3-methoxy-4-(octyloxy)benzylidene]-2-[(E)-2-phenylethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK800658
SMILES CCCCCCCCOc1ccc(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 C28H31N3O3S MW 489.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O3S/c1-3-4-5-6-7-11-18-34-23-16-14-22(19-24(23)33-2)20-25-27(32)31-28(35-25)29-26(30-31)17-15-21-12-9-8-10-13-21/h8-10,12-17,19-20H,3-7,11,18H2,1-2H3/b17-15+,25-20-
InChIKey
OJBCKGICCCVUSF-OXGSWZRFSA-N
Synonyms

(5Z)5((3methoxy4octoxyphenyl)methylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6one
(5Z)5(3methoxy4(octyloxy)benzylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C=CC4=CC=CC=C4)S2)OC
CCCCCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)C=Cc1ccccc1
InChI=1SC28H31N3O3Sc13456711183423161422(1924(23)332)202527(32)3128(3525)2926(3031)1715211298101321h81012171920H371118H212H3b1715+2520
MFCD06642909
ZINC000097946718
ZINC97946718

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Available files

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