Vitas-M small molecule compound
4-({(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-methoxy-N-(4-methylphenyl)benzenesulfonamide
Catalog ID
STL294906
SMILES COc1cc(ccc1N/C=C/1\C(=NN(C1=O)c1ccc(c(c1)C)C)C)S(=O)(=O)Nc1ccc(cc1)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 C27H28N4O4S MW 504.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O4S/c1-17-6-9-21(10-7-17)30-36(33,34)23-12-13-25(26(15-23)35-5)28-16-24-20(4)29-31(27(24)32)22-11-8-18(2)19(3)14-22/h6-16,28,30H,1-5H3/b24-16+InChIKey
ZHQVHQXBDKSYIG-LFVJCYFKSA-NSynonyms
4(((E)(1(34dimethylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)3methoxyN(4methylphenyl)benzenesulfonamide
4(((E)(1(34DIMETHYLPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)AMINO)3METHOXYN(4METHYLPHENYL)BENZENESULFONAMIDE
CC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NC=C3C(=NN(C3=O)C4=CC(=C(C=C4)C)C)C)OC
COc1cc(ccc1NC=C1C(=NN(C1=O)c1ccc(c(c1)C)C)C)S(=O)(=O)Nc1ccc(cc1)C
InChI=1SC27H28N4O4Sc1176921(10717)3036(3334)23121325(26(1523)355)28162420(4)2931(27(24)32)2211818(2)19(3)1422h6162830H15H3b2416+
MFCD28032821
ZINC000101124877
ZINC101124877
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