Vitas-M small molecule compound
(5E)-2-(4-tert-butylphenyl)-5-(3,4-diethoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK812555
SMILES CCOc1cc(ccc1OCC)/C=c\1/sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)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 C25H27N3O3S MW 449.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O3S/c1-6-30-19-13-8-16(14-20(19)31-7-2)15-21-23(29)28-24(32-21)26-22(27-28)17-9-11-18(12-10-17)25(3,4)5/h8-15H,6-7H2,1-5H3/b21-15+InChIKey
POOKNKUXTXOROV-RCCKNPSSSA-NSynonyms
(5E)2(4TERTBUTYLPHENYL)5((34DIETHOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)2(4tertbutylphenyl)5(34diethoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)2(4(tertbutyl)phenyl)5(34diethoxybenzylidene)thiazolo(32b)(124)triazol6(5H)one
CCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)C(C)(C)C)S2)OCC
CCOc1cc(ccc1OCC)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)C
InChI=1SC25H27N3O3Sc16301913816(1420(19)3172)152123(29)2824(3221)2622(2728)1791118(121017)25(34)5h815H67H215H3b2115+
MFCD06265022
ZINC000026533561
ZINC26533561
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