Vitas-M small molecule compound

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

Catalog ID
STK093471
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)N)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 C28H29N5O3S MW 515.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O3S/c1-28(2,3)20-9-5-19(6-10-20)26-31-32-27(33(26)22-13-15-23(36-4)16-14-22)37-17-24(34)30-21-11-7-18(8-12-21)25(29)35/h5-16H,17H2,1-4H3,(H2,29,35)(H,30,34)
InChIKey
QDUSGCZODFGKCQ-UHFFFAOYSA-N
Synonyms
499103-11-6
4((((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZAMIDE
4((2((5(4tertbutylphenyl)4(4methoxyphenyl)124triazol3yl)sulfanyl)acetyl)amino)benzamide
4(2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)acetamido)benzamide
4(2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZAMIDE
4(2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZAMIDE
499103116
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NC4=CC=C(C=C4)C(=O)N
COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)N)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC28H29N5O3Sc128(23)209519(61020)26313227(33(26)22131523(364)161422)371724(34)302111718(81221)25(29)35h516H17H214H3(H22935)(H3034)
MFCD03223980
STK093471
ZINC000000949959
ZINC00949959
ZINC949959

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Available files

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