Vitas-M small molecule compound
(5Z)-5-(3-butoxybenzylidene)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK515815
SMILES CCCCOc1cccc(c1)/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 C23H21N3O4S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4S/c1-2-3-11-28-16-8-6-7-15(12-16)13-20-22(27)26-23(31-20)24-21(25-26)19-14-29-17-9-4-5-10-18(17)30-19/h4-10,12-13,19H,2-3,11,14H2,1H3/b20-13-InChIKey
SFRBSHNUJLYKTI-MOSHPQCFSA-NSynonyms
(5Z)5((3butoxyphenyl)methylidene)2(23dihydro14benzodioxin3yl)(13)thiazolo(32b)(124)triazol6one
(5Z)5(3butoxybenzylidene)2(23dihydro14benzodioxin2yl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=CC(=C1)C=C2C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2
CCCCOc1cccc(c1)C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
InChI=1SC23H21N3O4Sc12311281686715(1216)132022(27)2623(3120)2421(2526)191429179451018(17)3019h410121319H231114H21H3b2013
MFCD06645395
ZINC000016742059
ZINC000016742060
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