Vitas-M small molecule compound

2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(butan-2-yl)phenyl]acetamide

Catalog ID
STK596982
SMILES CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1[nH]nc2c1CCC2)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 C20H25N7OS MW 411.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N7OS/c1-3-12(2)13-7-9-14(10-8-13)22-17(28)11-29-20-26-25-19(27(20)21)18-15-5-4-6-16(15)23-24-18/h7-10,12H,3-6,11,21H2,1-2H3,(H,22,28)(H,23,24)
InChIKey
WRKPRKRQTXDWMD-UHFFFAOYSA-N
Synonyms
900291-36-3
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)124triazol3yl)sulfanyl)N(4butan2ylphenyl)acetamide
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)thio)N(4(secbutyl)phenyl)acetamide
2((4amino5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)sulfanyl)N(4(butan2yl)phenyl)acetamide
2(4AMINO5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)(124TRIAZOL3YLTHIO))N(4(METHYLPROPYL)PHENYL)ACETAMIDE
900291363
CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=NNC4=C3CCC4
CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1(nH)nc2c1CCC2)C
CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1n(nH)c2c1CCC2)C
InChI=1SC20H25N7OSc1312(2)137914(10813)2217(28)112920262519(27(20)21)181554616(15)232418h71012H361121H212H3(H2228)(H2324)
MFCD07203916
ZINC000009087484
ZINC000009087485

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Available files

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