Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-[4-(pentyloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904987
SMILES CCCCCOc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)OCCCC
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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 C26H29N3O3S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O3S/c1-3-5-7-17-32-21-12-8-19(9-13-21)18-23-25(30)29-26(33-23)27-24(28-29)20-10-14-22(15-11-20)31-16-6-4-2/h8-15,18H,3-7,16-17H2,1-2H3/b23-18-InChIKey
OZPMKWSUSFMPIS-NKFKGCMQSA-NSynonyms
(5Z)2(4butoxyphenyl)5((4pentoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)2(4butoxyphenyl)5(4(pentyloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)OCCCC)S2
CCCCCOc1ccc(cc1)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)OCCCC
InChI=1SC26H29N3O3Sc135717322112819(91321)182325(30)2926(3323)2724(2829)20101422(151120)3116642h81518H371617H212H3b2318
MFCD18076204
ZINC000027022655
ZINC27022655
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