Vitas-M small molecule compound

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

Catalog ID
STL044014
SMILES O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)NNC(=S)Nc1ccccc1

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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 C28H30N6OS2 MW 530.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N6OS2/c1-19-10-16-23(17-11-19)34-25(20-12-14-21(15-13-20)28(2,3)4)31-33-27(34)37-18-24(35)30-32-26(36)29-22-8-6-5-7-9-22/h5-17H,18H2,1-4H3,(H,30,35)(H2,29,32,36)
InChIKey
BESWFDOGHJPJDB-UHFFFAOYSA-N
Synonyms
500269-98-7
1((2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)3PHENYLTHIOUREA
2(((5(4tertbutylphenyl)4(4methylphenyl)4H124triazol3yl)sulfanyl)acetyl)Nphenylhydrazinecarbothioamide
2(2((5(4(tertbutyl)phenyl)4(ptolyl)4H124triazol3yl)thio)acetyl)Nphenylhydrazinecarbothioamide
2(5(4(TERTBUTYL)PHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))N(((PHENYLAMINO)THIOXOMETHYL)AMINO)ACETAMIDE
500269987
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NNC(=S)NC3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC28H30N6OS2c119101623(171119)3425(20121421(151320)28(23)4)313327(34)371824(35)303226(36)29228657922h517H18H214H3(H3035)(H2293236)
MFCD03299814
ZINC000002327774
ZINC2327774

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Available files

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