Vitas-M small molecule compound
4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK851042
SMILES COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc2c(c1)c1ccccc1n2CC
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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 C26H25N5O3S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O3S/c1-5-30-20-9-7-6-8-18(20)19-12-16(10-11-21(19)30)15-27-31-25(28-29-26(31)35)17-13-22(32-2)24(34-4)23(14-17)33-3/h6-15H,5H2,1-4H3,(H,29,35)/b27-15+InChIKey
YWHSYZUEPCXYAD-JFLMPSFJSA-NSynonyms
498571-13-44(((E)(9ethyl9Hcarbazol3yl)methylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((E)(9ETHYLCARBAZOL3YL)METHYLIDENEAMINO)3(345TRIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
498571134
CCN1C2=C(C=C(C=C2)C=NN3C(=NNC3=S)C4=CC(=C(C(=C4)OC)OC)OC)C5=CC=CC=C51
COc1cc(cc(c1OC)OC)c1n(nH)c(=S)n1N=Cc1ccc2c(c1)c1ccccc1n2CC
InChI=1SC26H25N5O3Sc153020976818(20)191216(101121(19)30)15273125(282926(31)35)171322(322)24(344)23(1417)333h615H5H214H3(H2935)b2715+
MFCD07207551
ZINC000009090183
ZINC2350259
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