Vitas-M small molecule compound

(5Z)-5-(2,3-dimethoxybenzylidene)-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK818789
SMILES CCCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cccc(c1OC)OC)/c2=O

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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 C25H27N3O4S MW 465.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4S/c1-4-5-6-7-15-32-19-13-11-17(12-14-19)23-26-25-28(27-23)24(29)21(33-25)16-18-9-8-10-20(30-2)22(18)31-3/h8-14,16H,4-7,15H2,1-3H3/b21-16-
InChIKey
DUZHZQJPWPYNRP-PGMHBOJBSA-N
Synonyms

(5Z)5((23DIMETHOXYPHENYL)METHYLIDENE)2(4HEXOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(23dimethoxybenzylidene)2(4(hexyloxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=C(C(=CC=C4)OC)OC)SC3=N2
CCCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cccc(c1OC)OC)c2=O
InChI=1SC25H27N3O4Sc14567153219131117(121419)23262528(2723)24(29)21(3325)1618981020(302)22(18)313h81416H4715H213H3b2116
MFCD06643147
ZINC000003650973
ZINC03650973
ZINC3650973

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Available files

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