Vitas-M small molecule compound
(5Z)-5-(3-butoxybenzylidene)-2-[(E)-2-phenylethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK800648
SMILES CCCCOc1cccc(c1)/C=c/1\sc2n(c1=O)nc(n2)/C=C/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 C23H21N3O2S MW 403.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O2S/c1-2-3-14-28-19-11-7-10-18(15-19)16-20-22(27)26-23(29-20)24-21(25-26)13-12-17-8-5-4-6-9-17/h4-13,15-16H,2-3,14H2,1H3/b13-12+,20-16-InChIKey
SIOGMBPEXIKMFU-OLVUBZDSSA-NSynonyms
(5Z)5((3butoxyphenyl)methylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6one
(5Z)5(3butoxybenzylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=CC(=C1)C=C2C(=O)N3C(=NC(=N3)C=CC4=CC=CC=C4)S2
CCCCOc1cccc(c1)C=c1sc2n(c1=O)nc(n2)C=Cc1ccccc1
InChI=1SC23H21N3O2Sc1231428191171018(1519)162022(27)2623(2920)2421(2526)1312178546917h4131516H2314H21H3b1312+2016
MFCD06651173
ZINC000016735831
ZINC16735831
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