Vitas-M small molecule compound

ethyl (2Z)-[2-(4-methoxyphenyl)hydrazinylidene]{[4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanoate

Catalog ID
STK733816
SMILES CCOC(=O)/C(=N/Nc1ccc(cc1)OC)/Sc1nnc(n1c1ccccc1)CCc1ccccc1

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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 C27H27N5O3S MW 501.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O3S/c1-3-35-26(33)25(30-28-21-15-17-23(34-2)18-16-21)36-27-31-29-24(19-14-20-10-6-4-7-11-20)32(27)22-12-8-5-9-13-22/h4-13,15-18,28H,3,14,19H2,1-2H3/b30-25-
InChIKey
BYQPWIVZWHUOPG-JVCXMKTPSA-N
Synonyms
524032-94-8
(Z)ethyl2(2(4methoxyphenyl)hydrazono)2((5phenethyl4phenyl4H124triazol3yl)thio)acetate
524032948
CCOC(=O)C(=NNC1=CC=C(C=C1)OC)SC2=NN=C(N2C3=CC=CC=C3)CCC4=CC=CC=C4
CCOC(=O)C(=NNc1ccc(cc1)OC)Sc1nnc(n1c1ccccc1)CCc1ccccc1
ETHYL(2Z)(2(4METHOXYPHENYL)HYDRAZINYLIDENE)((4PHENYL5(2PHENYLETHYL)4H124TRIAZOL3YL)SULFANYL)ETHANOATE
ethyl(2Z)2((4methoxyphenyl)hydrazinylidene)2((4phenyl5(2phenylethyl)124triazol3yl)sulfanyl)acetate
ETHYL(2Z)2((4METHOXYPHENYL)HYDRAZINYLIDENE)2((5PHENETHYL4PHENYL124TRIAZOL3YL)SULFANYL)ACETATE
InChI=1SC27H27N5O3Sc133526(33)25(302821151723(342)181621)3627312924(191420106471120)32(27)22128591322h413151828H31419H212H3b3025
MFCD03671916
ZINC000002204850
ZINC13496654

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.