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-(2-methoxy-5-methylphenyl)acetamide

Catalog ID
STK580498
SMILES COc1ccc(cc1NC(=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 C18H21N7O2S MW 399.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N7O2S/c1-10-6-7-14(27-2)13(8-10)20-15(26)9-28-18-24-23-17(25(18)19)16-11-4-3-5-12(11)21-22-16/h6-8H,3-5,9,19H2,1-2H3,(H,20,26)(H,21,22)
InChIKey
RWCOSRSJGRWCEC-UHFFFAOYSA-N
Synonyms
900260-28-8
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)124triazol3yl)sulfanyl)N(2methoxy5methylphenyl)acetamide
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)thio)N(2methoxy5methylphenyl)acetamide
2((4amino5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)sulfanyl)N(2methoxy5methylphenyl)acetamide
2(4AMINO5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)(124TRIAZOL3YLTHIO))N(2METHOXY5METHYLPHENYL)ACETAMIDE
900260288
CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2N)C3=NNC4=C3CCC4
COc1ccc(cc1NC(=O)CSc1nnc(n1N)c1(nH)nc2c1CCC2)C
COc1ccc(cc1NC(=O)CSc1nnc(n1N)c1n(nH)c2c1CCC2)C
InChI=1SC18H21N7O2Sc1106714(272)13(810)2015(26)92818242317(25(18)19)161143512(11)212216h68H35919H212H3(H2026)(H2122)
MFCD07202776
ZINC000009110906
ZINC09110906
ZINC9110906

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Available files

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