Vitas-M small molecule compound

(5E)-5-(4-butoxybenzylidene)-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK797436
SMILES CCCCOc1ccc(cc1)/C=c\1/sc2n(c1=O)nc(n2)c1ccc(cc1)Cl

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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 C21H18ClN3O2S MW 411.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O2S/c1-2-3-12-27-17-10-4-14(5-11-17)13-18-20(26)25-21(28-18)23-19(24-25)15-6-8-16(22)9-7-15/h4-11,13H,2-3,12H2,1H3/b18-13+
InChIKey
YDMKAINSKQGBJK-QGOAFFKASA-N
Synonyms

(5E)5((4BUTOXYPHENYL)METHYLIDENE)2(4CHLOROPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)5(4butoxybenzylidene)2(4chlorophenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(E)5(4butoxybenzylidene)2(4chlorophenyl)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Cl)S2
CCCCOc1ccc(cc1)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)Cl
InChI=1SC21H18ClN3O2Sc12312271710414(51117)131820(26)2521(2818)2319(2425)156816(22)9715h41113H2312H21H3b1813+
MFCD02987464
ZINC000001813951
ZINC01813951
ZINC1813951

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Available files

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