Vitas-M small molecule compound
4-[(1,3-benzodioxol-5-ylcarbamothioyl)amino]-N-(4-methoxyphenyl)benzenesulfonamide
Catalog ID
STK494537
SMILES COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NC(=S)Nc1ccc2c(c1)OCO2
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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 C21H19N3O5S2 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O5S2/c1-27-17-7-2-15(3-8-17)24-31(25,26)18-9-4-14(5-10-18)22-21(30)23-16-6-11-19-20(12-16)29-13-28-19/h2-12,24H,13H2,1H3,(H2,22,23,30)InChIKey
SFMALLDWKIEHNV-UHFFFAOYSA-NSynonyms
((4(((2HBENZO(34D)13DIOXOLAN5YLAMINO)THIOXOMETHYL)AMINO)PHENYL)SULFONYL)(4METHOXYPHENYL)AMINE
1(13benzodioxol5yl)3(4((4methoxyphenyl)sulfamoyl)phenyl)thiourea
4((13benzodioxol5ylcarbamothioyl)amino)N(4methoxyphenyl)benzenesulfonamide
COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4
InChI=1SC21H19N3O5S2c127177215(3817)2431(2526)189414(51018)2221(30)23166111920(1216)29132819h21224H13H21H3(H2222330)
MFCD05100739
ZINC000013936397
ZINC13936397
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