Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-[3-(pentyloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904985
SMILES CCCCCOc1cccc(c1)/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/c1-3-5-7-16-32-22-10-8-9-19(17-22)18-23-25(30)29-26(33-23)27-24(28-29)20-11-13-21(14-12-20)31-15-6-4-2/h8-14,17-18H,3-7,15-16H2,1-2H3/b23-18-InChIKey
GIBBVKQGOAKXLS-NKFKGCMQSA-NSynonyms
(5Z)2(4butoxyphenyl)5((3pentoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)2(4butoxyphenyl)5(3(pentyloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=CC=CC(=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)OCCCC)S2
CCCCCOc1cccc(c1)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)OCCCC
InChI=1SC26H29N3O3Sc1357163222108919(1722)182325(30)2926(3323)2724(2829)20111321(141220)3115642h8141718H371516H212H3b2318
MFCD18076202
ZINC000027022643
ZINC27022643
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