Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]acetohydrazide

Catalog ID
STK109387
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc3c(c2)c2ccccc2n3CC)nnc1c1ccc(cc1)C(C)(C)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 C36H36N6O2S MW 616.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H36N6O2S/c1-6-41-31-10-8-7-9-29(31)30-21-24(11-20-32(30)41)22-37-38-33(43)23-45-35-40-39-34(25-12-14-26(15-13-25)36(2,3)4)42(35)27-16-18-28(44-5)19-17-27/h7-22H,6,23H2,1-5H3,(H,38,43)/b37-22+
InChIKey
CLFNCPSBAPJCFV-SEBMTOOBSA-N
Synonyms

(E)2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)N((9ethyl9Hcarbazol3yl)methylene)acetohydrazide
2((5(4tertbutylphenyl)4(4methoxyphenyl)124triazol3yl)sulfanyl)N((E)(9ethylcarbazol3yl)methylideneamino)acetamide
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(9ETHYL9HCARBAZOL3YL)METHYLIDENE)ACETOHYDRAZIDE
CCN1C2=C(C=C(C=C2)C=NNC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=C(C=C5)C(C)(C)C)C6=CC=CC=C61
COc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccc3c(c2)c2ccccc2n3CC)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC36H36N6O2Sc1641311087929(31)302124(112032(30)41)22373833(43)234535403934(25121426(151325)36(23)4)42(35)27161828(445)191727h722H623H215H3(H3843)b3722+
MFCD03220010
N((1E)2(9ETHYLCARBAZOL3YL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000100852128
ZINC101513343

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Available files

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