Vitas-M small molecule compound
(5E)-5-benzylidene-2-[(E)-2-(4-methoxyphenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904482
SMILES COc1ccc(cc1)/C=C/c1nn2c(n1)s/c(=C/c1ccccc1)/c2=O
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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 C20H15N3O2S MW 361.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O2S/c1-25-16-10-7-14(8-11-16)9-12-18-21-20-23(22-18)19(24)17(26-20)13-15-5-3-2-4-6-15/h2-13H,1H3/b12-9+,17-13+InChIKey
PKCCCIAGIMPTFD-AAMUTCKCSA-NSynonyms
(5E)5benzylidene2((E)2(4methoxyphenyl)ethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5E)5benzylidene2((E)2(4methoxyphenyl)ethenyl)(13)thiazolo(32b)(124)triazol6one
COC1=CC=C(C=C1)C=CC2=NN3C(=O)C(=CC4=CC=CC=C4)SC3=N2
COc1ccc(cc1)C=Cc1nn2c(n1)sc(=Cc1ccccc1)c2=O
InChI=1SC20H15N3O2Sc1251610714(81116)91218212023(2218)19(24)17(2620)13155324615h213H1H3b129+1713+
MFCD07423808
ZINC000016779416
ZINC16779416
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