Vitas-M small molecule compound
ethyl 4-[({[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK582066
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1[nH]nc2c1CCC2
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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 C19H21N7O3S MW 427.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N7O3S/c1-2-29-18(28)11-6-8-12(9-7-11)21-15(27)10-30-19-25-24-17(26(19)20)16-13-4-3-5-14(13)22-23-16/h6-9H,2-5,10,20H2,1H3,(H,21,27)(H,22,23)InChIKey
PDRDKPDDUKFYMQ-UHFFFAOYSA-NSynonyms
900870-34-0900870340
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=NNC4=C3CCC4
CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1(nH)nc2c1CCC2
CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1n(nH)c2c1CCC2
ethyl4((((4amino5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
ethyl4((2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)124triazol3yl)sulfanyl)acetyl)amino)benzoate
ethyl4(2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)thio)acetamido)benzoate
ETHYL4(2(4AMINO5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
InChI=1SC19H21N7O3Sc122918(28)116812(9711)2115(27)103019252417(26(19)20)161343514(13)222316h69H251020H21H3(H2127)(H2223)
MFCD07207809
ZINC000009451538
ZINC09451538
ZINC9451538
Check stock
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Check stock on Vitas-MAvailable files
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