Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(4-propoxyphenyl)methylidene]acetohydrazide

Catalog ID
STK103160
SMILES CCCOc1ccc(cc1)/C=N\NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(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 C31H35N5O2S MW 541.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N5O2S/c1-6-19-38-27-17-9-23(10-18-27)20-32-33-28(37)21-39-30-35-34-29(36(30)26-15-7-22(2)8-16-26)24-11-13-25(14-12-24)31(3,4)5/h7-18,20H,6,19,21H2,1-5H3,(H,33,37)/b32-20-
InChIKey
VMESBFNWPIVGLM-RGXNXFOYSA-N
Synonyms

(E)2((5(4(tertbutyl)phenyl)4(ptolyl)4H124triazol3yl)thio)N(4propoxybenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((Z)(4PROPOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((Z)(4PROPOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
CCCOC1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=C(C=C4)C(C)(C)C
CCCOc1ccc(cc1)C=NNC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C
InChI=1SC31H35N5O2Sc1619382717923(101827)20323328(37)213930353429(36(30)2615722(2)81626)24111325(141224)31(34)5h71820H61921H215H3(H3337)b3220
MFCD03219891
N((1Z)2(4PROPOXYPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000100853139
ZINC100855002

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Available files

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