Vitas-M small molecule compound

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

Catalog ID
STK107098
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C(/c2ccccc2Cl)\C)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 C29H30ClN5O2S MW 548.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30ClN5O2S/c1-19(24-8-6-7-9-25(24)30)31-32-26(36)18-38-28-34-33-27(20-10-12-21(13-11-20)29(2,3)4)35(28)22-14-16-23(37-5)17-15-22/h6-17H,18H2,1-5H3,(H,32,36)/b31-19+
InChIKey
RDJUWVBSZRSBSZ-ZCTHSVRISA-N
Synonyms

(Z)2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)N(1(2chlorophenyl)ethylidene)acetohydrazide
2((5(4tertbutylphenyl)4(4methoxyphenyl)124triazol3yl)sulfanyl)N((E)1(2chlorophenyl)ethylideneamino)acetamide
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1E)1(2CHLOROPHENYL)ETHYLIDENE)ACETOHYDRAZIDE
CC(=NNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4Cl
COc1ccc(cc1)n1c(SCC(=O)NN=C(c2ccccc2Cl)C)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC29H30ClN5O2Sc119(24867925(24)30)313226(36)183828343327(20101221(131120)29(23)4)35(28)22141623(375)171522h617H18H215H3(H3236)b3119+
MFCD03220027
N((1E)2(2CHLOROPHENYL)1AZAPROP1ENYL)2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000100853243
ZINC100864222

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Available files

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