Vitas-M small molecule compound

2-({5-[2-(9H-carbazol-9-yl)ethyl]-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(1E)-1-(4-ethoxyphenyl)ethylidene]acetohydrazide

Catalog ID
STL024845
SMILES CCOc1ccc(cc1)/C(=N/NC(=O)CSc1nnc(n1CC(=C)C)CCn1c2ccccc2c2c1cccc2)/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 C32H34N6O2S MW 566.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N6O2S/c1-5-40-25-16-14-24(15-17-25)23(4)33-35-31(39)21-41-32-36-34-30(38(32)20-22(2)3)18-19-37-28-12-8-6-10-26(28)27-11-7-9-13-29(27)37/h6-17H,2,5,18-21H2,1,3-4H3,(H,35,39)/b33-23+
InChIKey
AVFZVFHDRFUAOA-GZZLJNBRSA-N
Synonyms

(E)2((5(2(9Hcarbazol9yl)ethyl)4(2methylallyl)4H124triazol3yl)thio)N(1(4ethoxyphenyl)ethylidene)acetohydrazide
2((5(2(9Hcarbazol9yl)ethyl)4(2methylprop2en1yl)4H124triazol3yl)sulfanyl)N((1E)1(4ethoxyphenyl)ethylidene)acetohydrazide
2((5(2carbazol9ylethyl)4(2methylprop2enyl)124triazol3yl)sulfanyl)N((E)1(4ethoxyphenyl)ethylideneamino)acetamide
CCOC1=CC=C(C=C1)C(=NNC(=O)CSC2=NN=C(N2CC(=C)C)CCN3C4=CC=CC=C4C5=CC=CC=C53)C
CCOc1ccc(cc1)C(=NNC(=O)CSc1nnc(n1CC(=C)C)CCn1c2ccccc2c2c1cccc2)C
InChI=1SC32H34N6O2Sc154025161424(151725)23(4)333531(39)214132363430(38(32)2022(2)3)1819372812861026(28)2711791329(27)37h617H251821H2134H3(H3539)b3323+
MFCD01915806
ZINC000101127000
ZINC100686962

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Available files

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