Vitas-M small molecule compound

(5Z)-2-(4-butoxyphenyl)-5-[2-(pentyloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK904986
SMILES CCCCCOc1ccccc1/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/c1-3-5-9-17-32-22-11-8-7-10-20(22)18-23-25(30)29-26(33-23)27-24(28-29)19-12-14-21(15-13-19)31-16-6-4-2/h7-8,10-15,18H,3-6,9,16-17H2,1-2H3/b23-18-
InChIKey
KLFDCBXJKPXENJ-NKFKGCMQSA-N
Synonyms

(5Z)2(4butoxyphenyl)5((2pentoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)2(4butoxyphenyl)5(2(pentyloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=CC=CC=C1C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)OCCCC)S2
CCCCCOc1ccccc1C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)OCCCC
InChI=1SC26H29N3O3Sc135917322211871020(22)182325(30)2926(3323)2724(2829)19121421(151319)3116642h78101518H3691617H212H3b2318
MFCD18076203
ZINC000027022649
ZINC27022649

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Available files

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