Vitas-M small molecule compound

(5Z)-5-[4-(heptyloxy)-3-methoxybenzylidene]-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK815858
SMILES CCCCCCCOc1ccc(cc1OC)/C=c/1\sc2n(c1=O)nc(n2)c1ccccc1

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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 C25H27N3O3S MW 449.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O3S/c1-3-4-5-6-10-15-31-20-14-13-18(16-21(20)30-2)17-22-24(29)28-25(32-22)26-23(27-28)19-11-8-7-9-12-19/h7-9,11-14,16-17H,3-6,10,15H2,1-2H3/b22-17-
InChIKey
FAISZUZGHWVGKY-XLNRJJMWSA-N
Synonyms
797766-65-5
(5Z)5((4HEPTOXY3METHOXYPHENYL)METHYLIDENE)2PHENYL(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4(heptyloxy)3methoxybenzylidene)2phenyl(13)thiazolo(32b)(124)triazol6(5H)one
(Z)5(4(heptyloxy)3methoxybenzylidene)2phenylthiazolo(32b)(124)triazol6(5H)one
797766655
CCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CC=C4)S2)OC
CCCCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)c1ccccc1
InChI=1SC25H27N3O3Sc1345610153120141318(1621(20)302)172224(29)2825(3222)2623(2728)19118791219h7911141617H361015H212H3b2217
MFCD03665023
ZINC000100894375
ZINC100894375

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Available files

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