Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-[2-(hexyloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK800640
SMILES CCCCCCOc1ccccc1/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)OCCCC
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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 C27H31N3O3S MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3S/c1-3-5-7-10-18-33-23-12-9-8-11-21(23)19-24-26(31)30-27(34-24)28-25(29-30)20-13-15-22(16-14-20)32-17-6-4-2/h8-9,11-16,19H,3-7,10,17-18H2,1-2H3/b24-19-InChIKey
DPHJLYZLYPIARL-CLCOLTQESA-NSynonyms
(5Z)2(4butoxyphenyl)5((2hexoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)2(4butoxyphenyl)5(2(hexyloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCCOC1=CC=CC=C1C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)OCCCC)S2
CCCCCCOc1ccccc1C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)OCCCC
InChI=1SC27H31N3O3Sc13571018332312981121(23)192426(31)3027(3424)2825(2930)20131522(161420)3217642h89111619H37101718H212H3b2419
MFCD06642895
ZINC000016735820
ZINC16735820
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