Vitas-M small molecule compound
(5Z)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(propan-2-yl)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK515819
SMILES CC(c1ccc(cc1)/C=c/1\sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2)C
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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 C22H19N3O3S MW 405.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O3S/c1-13(2)15-9-7-14(8-10-15)11-19-21(26)25-22(29-19)23-20(24-25)18-12-27-16-5-3-4-6-17(16)28-18/h3-11,13,18H,12H2,1-2H3/b19-11-InChIKey
MDYRSFXJPFZSFL-ODLFYWEKSA-NSynonyms
(5Z)2(23dihydro14benzodioxin2yl)5(4(propan2yl)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(23dihydro14benzodioxin3yl)5((4propan2ylphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
CC(C)C1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2
CC(c1ccc(cc1)C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2)C
InChI=1SC22H19N3O3Sc113(2)159714(81015)111921(26)2522(2919)2320(2425)18122716534617(16)2818h3111318H12H212H3b1911
MFCD06645399
ZINC000016742067
ZINC000016742068
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