Vitas-M small molecule compound

(5Z)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-(4-methoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK823779
SMILES COc1ccc(cc1)/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 C20H15N3O4S MW 393.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O4S/c1-25-13-8-6-12(7-9-13)10-17-19(24)23-20(28-17)21-18(22-23)16-11-26-14-4-2-3-5-15(14)27-16/h2-10,16H,11H2,1H3/b17-10-
InChIKey
NPZAXOLTHSGOSC-YVLHZVERSA-N
Synonyms

(5Z)2(23dihydro14benzodioxin2yl)5(4methoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(23dihydro14benzodioxin3yl)5((4methoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
COC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2
COc1ccc(cc1)C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
InChI=1SC20H15N3O4Sc125138612(7913)101719(24)2320(2817)2118(2223)16112614423515(14)2716h21016H11H21H3b1710
MFCD18075684
ZINC000027021017
ZINC000027021021

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Available files

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