Vitas-M small molecule compound
(5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[3-methoxy-4-(pentyloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK817013
SMILES CCCCCOc1ccc(cc1OC)/C=c\1/sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
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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 C25H25N3O5S MW 479.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5S/c1-3-4-7-12-31-18-11-10-16(13-20(18)30-2)14-22-24(29)28-25(34-22)26-23(27-28)21-15-32-17-8-5-6-9-19(17)33-21/h5-6,8-11,13-14,21H,3-4,7,12,15H2,1-2H3/b22-14+InChIKey
DYGGXZYQPSTUAI-HYARGMPZSA-NSynonyms
(5E)2(23dihydro14benzodioxin2yl)5(3methoxy4(pentyloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5E)2(23DIHYDRO14BENZODIOXIN3YL)5((3METHOXY4PENTOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2)OC
CCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
InChI=1SC25H25N3O5Sc1347123118111016(1320(18)302)142224(29)2825(3422)2623(2728)21153217856919(17)3321h56811131421H3471215H212H3b2214+
MFCD04446209
ZINC000016733857
ZINC000016733860
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