Vitas-M small molecule compound
ethyl 5-[({4-[2,3-dimethyl-5-oxo-4-(propan-2-yl)-2,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)amino]-1-benzothiophene-2-carboxylate
Catalog ID
STK665688
SMILES CCOC(=O)c1cc2c(s1)ccc(c2)NS(=O)(=O)c1ccc(cc1)n1n(C)c(c(c1=O)C(C)C)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 C25H27N3O5S2 MW 513.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O5S2/c1-6-33-25(30)22-14-17-13-18(7-12-21(17)34-22)26-35(31,32)20-10-8-19(9-11-20)28-24(29)23(15(2)3)16(4)27(28)5/h7-15,26H,6H2,1-5H3InChIKey
XOFFUCHDZKIKQH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)N4C(=O)C(=C(N4C)C)C(C)C
ethyl5(((4(23dimethyl5oxo4(propan2yl)25dihydro1Hpyrazol1yl)phenyl)sulfonyl)amino)1benzothiophene2carboxylate
ethyl5((4(23dimethyl5oxo4propan2ylpyrazol1yl)phenyl)sulfonylamino)1benzothiophene2carboxylate
InChI=1SC25H27N3O5S2c163325(30)2214171318(71221(17)3422)2635(3132)2010819(91120)2824(29)23(15(2)3)16(4)27(28)5h71526H6H215H3
MFCD09064855
ZINC000012410889
ZINC12410889
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