Vitas-M small molecule compound

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

Catalog ID
STK583755
SMILES CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

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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 C23H25N7OS MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N7OS/c1-2-3-7-16-10-12-18(13-11-16)25-21(31)15-32-23-29-28-22(30(23)24)20-14-19(26-27-20)17-8-5-4-6-9-17/h4-6,8-14H,2-3,7,15,24H2,1H3,(H,25,31)(H,26,27)
InChIKey
ICGOACRBNWPTBN-UHFFFAOYSA-N
Synonyms
879470-76-5
2((4AMINO5(3PHENYL1HPYRAZOL5YL)124TRIAZOL3YL)SULFANYL)N(4BUTYLPHENYL)ACETAMIDE
2((4amino5(3phenyl1Hpyrazol5yl)4H124triazol3yl)thio)N(4butylphenyl)acetamide
2((4amino5(5phenyl1Hpyrazol3yl)4H124triazol3yl)sulfanyl)N(4butylphenyl)acetamide
2(4AMINO5(3PHENYLPYRAZOL5YL)(124TRIAZOL3YLTHIO))N(4BUTYLPHENYL)ACETAMIDE
879470765
CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=CC=C4
CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1N)c1(nH)nc(c1)c1ccccc1
CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1N)c1n(nH)c(c1)c1ccccc1
InChI=1SC23H25N7OSc123716101218(131116)2521(31)153223292822(30(23)24)201419(262720)178546917h46814H2371524H21H3(H2531)(H2627)
MFCD07209054
ZINC000009450304
ZINC09450304
ZINC9450304

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.