Vitas-M small molecule compound
(5Z)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[3-ethoxy-4-(pentyloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK514516
SMILES CCCCCOc1ccc(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 C26H27N3O5S MW 493.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O5S/c1-3-5-8-13-32-19-12-11-17(14-21(19)31-4-2)15-23-25(30)29-26(35-23)27-24(28-29)22-16-33-18-9-6-7-10-20(18)34-22/h6-7,9-12,14-15,22H,3-5,8,13,16H2,1-2H3/b23-15-InChIKey
SPEBLRWNWQIYHE-HAHDFKILSA-NSynonyms
(5Z)2(23dihydro14benzodioxin2yl)5(3ethoxy4(pentyloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(23DIHYDRO14BENZODIOXIN3YL)5((3ETHOXY4PENTOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(E)2(23dihydrobenzo(b)(14)dioxin2yl)5(3ethoxy4(pentyloxy)benzylidene)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2)OCC
CCCCCOc1ccc(cc1OCC)C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
InChI=1SC26H27N3O5Sc1358133219121117(1421(19)3142)152325(30)2926(3523)2724(2829)221633189671020(18)3422h67912141522H3581316H212H3b2315
MFCD04446336
ZINC000026533593
ZINC000026533597
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