Vitas-M small molecule compound
2-{[4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
Catalog ID
STL144859
SMILES O=C(Nc1cccc(c1C)Cl)CSc1nnc(n1N)c1n[nH]c2c1CCC2
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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 C17H18ClN7OS MW 403.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18ClN7OS/c1-9-11(18)5-3-6-12(9)20-14(26)8-27-17-24-23-16(25(17)19)15-10-4-2-7-13(10)21-22-15/h3,5-6H,2,4,7-8,19H2,1H3,(H,20,26)(H,21,22)InChIKey
BFXHTIKVWRDVJC-UHFFFAOYSA-NSynonyms
900869-99-02((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)124triazol3yl)sulfanyl)N(3chloro2methylphenyl)acetamide
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)sulfanyl)N(3chloro2methylphenyl)acetamide
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)thio)N(3chloro2methylphenyl)acetamide
2(4AMINO5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)(124TRIAZOL3YLTHIO))N(3CHLORO2METHYLPHENYL)ACETAMIDE
900869990
CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2N)C3=NNC4=C3CCC4
InChI=1SC17H18ClN7OSc1911(18)53612(9)2014(26)82717242316(25(17)19)151042713(10)212215h356H247819H21H3(H2026)(H2122)
MFCD06775200
O=C(Nc1cccc(c1C)Cl)CSc1nnc(n1N)c1n(nH)c2c1CCC2
ZINC000009015406
ZINC09015406
ZINC9015406
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