Vitas-M small molecule compound
(5Z)-2-[4-(hexyloxy)phenyl]-5-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK818320
SMILES CCCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\C=C\c1ccccc1OC)/c2=O
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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 C26H27N3O3S MW 461.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O3S/c1-3-4-5-8-18-32-21-16-14-20(15-17-21)24-27-26-29(28-24)25(30)23(33-26)13-9-11-19-10-6-7-12-22(19)31-2/h6-7,9-17H,3-5,8,18H2,1-2H3/b11-9+,23-13-InChIKey
JXEAFLJTZGBTBB-UZFRFFLFSA-NSynonyms
(5Z)2(4(hexyloxy)phenyl)5((2E)3(2methoxyphenyl)prop2en1ylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4HEXOXYPHENYL)5((E)3(2METHOXYPHENYL)PROP2ENYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC=CC4=CC=CC=C4OC)SC3=N2
CCCCCCOc1ccc(cc1)c1nn2c(n1)sc(=CC=Cc1ccccc1OC)c2=O
InChI=1SC26H27N3O3Sc13458183221161420(151721)24272629(2824)25(30)23(3326)139111910671222(19)312h67917H35818H212H3b119+2313
MFCD06308881
ZINC000003649188
ZINC03649188
ZINC3649188
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