Vitas-M small molecule compound

N-(4-butylphenyl)-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STL040554
SMILES CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)OC)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 C31H36N4O2S MW 528.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N4O2S/c1-6-7-8-22-9-15-25(16-10-22)32-28(36)21-38-30-34-33-29(23-11-13-24(14-12-23)31(2,3)4)35(30)26-17-19-27(37-5)20-18-26/h9-20H,6-8,21H2,1-5H3,(H,32,36)
InChIKey
IYJPDMHFCOJQEP-UHFFFAOYSA-N
Synonyms
848928-48-3
2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)N(4butylphenyl)acetamide
2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))N(4BUTYLPHENYL)ACETAMIDE
848928483
CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC31H36N4O2Sc16782291525(161022)3228(36)213830343329(23111324(141223)31(23)4)35(30)26171927(375)201826h920H6821H215H3(H3236)
MFCD05677968
N(4BUTYLPHENYL)2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4butylphenyl)2((5(4tertbutylphenyl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000002444108
ZINC02444108
ZINC2444108

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Available files

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