Vitas-M small molecule compound
(5Z)-2-(4-tert-butylphenyl)-5-[2-(hexyloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK819225
SMILES CCCCCCOc1ccccc1/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 C27H31N3O2S MW 461.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O2S/c1-5-6-7-10-17-32-22-12-9-8-11-20(22)18-23-25(31)30-26(33-23)28-24(29-30)19-13-15-21(16-14-19)27(2,3)4/h8-9,11-16,18H,5-7,10,17H2,1-4H3/b23-18-InChIKey
VKDJWYORLRNNJP-NKFKGCMQSA-NSynonyms
862183-98-0(5Z)2(4TERTBUTYLPHENYL)5((2HEXOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)2(4tertbutylphenyl)5(2(hexyloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)2(4(tertbutyl)phenyl)5(2(hexyloxy)benzylidene)thiazolo(32b)(124)triazol6(5H)one
862183980
CCCCCCOC1=CC=CC=C1C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)C(C)(C)C)S2
CCCCCCOc1ccccc1C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)C
InChI=1SC27H31N3O2Sc15671017322212981120(22)182325(31)3026(3323)2824(2930)19131521(161419)27(23)4h89111618H571017H214H3b2318
MFCD03667878
ZINC000009499215
ZINC09499215
ZINC9499215
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