Vitas-M small molecule compound
(3Z)-1-ethyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one
Catalog ID
STK818515
SMILES CCCCCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C\1/C(=O)N(c3c1cccc3)CC)/s2
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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 C26H26N4O3S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O3S/c1-3-5-6-9-16-33-18-14-12-17(13-15-18)23-27-26-30(28-23)25(32)22(34-26)21-19-10-7-8-11-20(19)29(4-2)24(21)31/h7-8,10-15H,3-6,9,16H2,1-2H3/b22-21-InChIKey
YHXVCTWYGHXQDY-DQRAZIAOSA-NSynonyms
(3Z)1ethyl3(2(4(hexyloxy)phenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)13dihydro2Hindol2one
(5Z)5(1ethyl2oxoindol3ylidene)2(4hexoxyphenyl)(13)thiazolo(32b)(124)triazol6one
CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=C4C5=CC=CC=C5N(C4=O)CC)SC3=N2
CCCCCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=C1C(=O)N(c3c1cccc3)CC)s2
InChI=1SC26H26N4O3Sc13569163318141217(131518)23272630(2823)25(32)22(3426)211910781120(19)29(42)24(21)31h781015H36916H212H3b2221
MFCD06308525
ZINC000003649545
ZINC03649545
ZINC3649545
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