Vitas-M small molecule compound
(5Z)-5-[4-(pentyloxy)benzylidene]-2-(pyridin-3-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK797163
SMILES CCCCCOc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(n2)c1cccnc1
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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 C21H20N4O2S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S/c1-2-3-4-12-27-17-9-7-15(8-10-17)13-18-20(26)25-21(28-18)23-19(24-25)16-6-5-11-22-14-16/h5-11,13-14H,2-4,12H2,1H3/b18-13-InChIKey
MQVHCBYKRFVGAW-AQTBWJFISA-NSynonyms
(5Z)5((4PENTOXYPHENYL)METHYLIDENE)2PYRIDIN3YL(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4(pentyloxy)benzylidene)2(pyridin3yl)(13)thiazolo(32b)(124)triazol6(5H)one
(E)5(4(pentyloxy)benzylidene)2(pyridin3yl)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CN=CC=C4)S2
CCCCCOc1ccc(cc1)C=c1sc2n(c1=O)nc(n2)c1cccnc1
InChI=1SC21H20N4O2Sc12341227179715(81017)131820(26)2521(2818)2319(2425)166511221416h5111314H2412H21H3b1813
MFCD03225878
ZINC000026687396
ZINC26687396
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