Vitas-M small molecule compound
4-[6-amino-5-cyano-3-(2,4-dichlorophenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-bromo-6-ethoxyphenyl thiophene-2-carboxylate
Catalog ID
STK677272
SMILES CCOc1cc(cc(c1OC(=O)c1cccs1)Br)C1C(=C(N)Oc2c1c(n[nH]2)c1ccc(cc1Cl)Cl)C#N
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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 C26H17BrCl2N4O4S MW 632.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17BrCl2N4O4S/c1-2-35-18-9-12(8-16(27)23(18)36-26(34)19-4-3-7-38-19)20-15(11-30)24(31)37-25-21(20)22(32-33-25)14-6-5-13(28)10-17(14)29/h3-10,20H,2,31H2,1H3,(H,32,33)InChIKey
GTMDASJKVPBYDU-UHFFFAOYSA-NSynonyms
(4(6AMINO5CYANO3(24DICHLOROPHENYL)24DIHYDROPYRANO(23C)PYRAZOL4YL)2BROMO6ETHOXYPHENYL)THIOPHENE2CARBOXYLATE
4(6amino5cyano3(24dichlorophenyl)14dihydropyrano(23c)pyrazol4yl)2bromo6ethoxyphenylthiophene2carboxylate
CCOC1=C(C(=CC(=C1)C2C(=C(OC3=NNC(=C23)C4=C(C=C(C=C4)Cl)Cl)N)C#N)Br)OC(=O)C5=CC=CS5
CCOc1cc(cc(c1OC(=O)c1cccs1)Br)C1C(=C(N)Oc2c1c(n(nH)2)c1ccc(cc1Cl)Cl)C#N
InChI=1SC26H17BrCl2N4O4Sc123518912(816(27)23(18)3626(34)194373819)2015(1130)24(31)372521(20)22(323325)146513(28)1017(14)29h31020H231H21H3(H3233)
MFCD03035044
ZINC000033354518
ZINC000033354521
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