Vitas-M small molecule compound

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

Catalog ID
STL341622
SMILES O=C(Nc1ccc(c(c1)F)F)CSc1nnc(n1N)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 C20H21F2N5OS MW 417.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21F2N5OS/c1-20(2,3)13-6-4-12(5-7-13)18-25-26-19(27(18)23)29-11-17(28)24-14-8-9-15(21)16(22)10-14/h4-10H,11,23H2,1-3H3,(H,24,28)
InChIKey
RESSETIVWDUSHU-UHFFFAOYSA-N
Synonyms
577963-26-9
2((4amino5(4(tertbutyl)phenyl)4H124triazol3yl)thio)N(34difluorophenyl)acetamide
2((4AMINO5(4TERTBUTYLPHENYL)124TRIAZOL3YL)SULFANYL)N(34DIFLUOROPHENYL)ACETAMIDE
2((4amino5(4tertbutylphenyl)4H124triazol3yl)sulfanyl)N(34difluorophenyl)acetamide
2(4AMINO5(4(TERTBUTYL)PHENYL)(124TRIAZOL3YLTHIO))N(34DIFLUOROPHENYL)ACETAMIDE
577963269
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)F)F
InChI=1SC20H21F2N5OSc120(23)136412(5713)18252619(27(18)23)291117(28)24148915(21)16(22)1014h410H1123H213H3(H2428)
MFCD04028794
ZINC000002385325
ZINC02385325
ZINC2385325

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Available files

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