Vitas-M small molecule compound
(5Z)-2-(4-tert-butylphenyl)-5-[4-(hexyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK819219
SMILES CCCCCCOc1ccc(cc1OC)/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 C28H33N3O3S MW 491.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O3S/c1-6-7-8-9-16-34-22-15-10-19(17-23(22)33-5)18-24-26(32)31-27(35-24)29-25(30-31)20-11-13-21(14-12-20)28(2,3)4/h10-15,17-18H,6-9,16H2,1-5H3/b24-18-InChIKey
LRHLELSTVUNDBX-MOHJPFBDSA-NSynonyms
848922-36-1(5Z)2(4TERTBUTYLPHENYL)5((4HEXOXY3METHOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)2(4tertbutylphenyl)5(4(hexyloxy)3methoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)2(4(tertbutyl)phenyl)5(4(hexyloxy)3methoxybenzylidene)thiazolo(32b)(124)triazol6(5H)one
848922361
CCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)C(C)(C)C)S2)OC
CCCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)C
InChI=1SC28H33N3O3Sc16789163422151019(1723(22)335)182426(32)3127(3524)2925(3031)20111321(141220)28(23)4h10151718H6916H215H3b2418
MFCD03665539
ZINC000002442935
ZINC02442935
ZINC2442935
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