Vitas-M small molecule compound
(5Z)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK515585
SMILES CCCCOc1ccc(cc1OCC)/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/c1-3-5-12-31-18-11-10-16(13-20(18)30-4-2)14-22-24(29)28-25(34-22)26-23(27-28)21-15-32-17-8-6-7-9-19(17)33-21/h6-11,13-14,21H,3-5,12,15H2,1-2H3/b22-14-InChIKey
SVXOZZWCAZQVHI-HMAPJEAMSA-NSynonyms
(5Z)5((4BUTOXY3ETHOXYPHENYL)METHYLIDENE)2(23DIHYDRO14BENZODIOXIN3YL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4butoxy3ethoxybenzylidene)2(23dihydro14benzodioxin2yl)(13)thiazolo(32b)(124)triazol6(5H)one
(E)5(4butoxy3ethoxybenzylidene)2(23dihydrobenzo(b)(14)dioxin2yl)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2)OCC
CCCCOc1ccc(cc1OCC)C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
InChI=1SC25H25N3O5Sc135123118111016(1320(18)3042)142224(29)2825(3422)2623(2728)21153217867919(17)3321h611131421H351215H212H3b2214
MFCD06645282
ZINC000026896340
ZINC000026896343
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