Vitas-M small molecule compound

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

Catalog ID
STK549283
SMILES COc1ccc2c(c1/C=N/NC(=O)CSc1nnc(n1CC)c1ccc(cc1)C(C)(C)C)cccc2

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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 C28H31N5O2S MW 501.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O2S/c1-6-33-26(20-11-14-21(15-12-20)28(2,3)4)31-32-27(33)36-18-25(34)30-29-17-23-22-10-8-7-9-19(22)13-16-24(23)35-5/h7-17H,6,18H2,1-5H3,(H,30,34)/b29-17+
InChIKey
NTCXZFSNSTYGSZ-STBIYBPSSA-N
Synonyms
612811-10-6
(E)2((5(4(tertbutyl)phenyl)4ethyl4H124triazol3yl)thio)N((2methoxynaphthalen1yl)methylene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N((E)(2METHOXYNAPHTHALEN1YL)METHYLIDENEAMINO)ACETAMIDE
2((5(4tertbutylphenyl)4ethyl4H124triazol3yl)sulfanyl)N((E)(2methoxynaphthalen1yl)methylidene)acetohydrazide
612811106
CCN1C(=NN=C1SCC(=O)NN=CC2=C(C=CC3=CC=CC=C32)OC)C4=CC=C(C=C4)C(C)(C)C
COc1ccc2c(c1C=NNC(=O)CSc1nnc(n1CC)c1ccc(cc1)C(C)(C)C)cccc2
InChI=1SC28H31N5O2Sc163326(20111421(151220)28(23)4)313227(33)361825(34)30291723221087919(22)131624(23)355h717H618H215H3(H3034)b2917+
MFCD03219064
N((1E)2(2METHOXYNAPHTHYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4ETHYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001823382
ZINC33345056

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Available files

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