Vitas-M small molecule compound
1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(phenylamino)phenyl]thiourea
Catalog ID
STK142757
SMILES S=C(Nc1ccc(cc1)Nc1ccccc1)NCc1ccc2c(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 C21H19N3O2S MW 377.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O2S/c27-21(22-13-15-6-11-19-20(12-15)26-14-25-19)24-18-9-7-17(8-10-18)23-16-4-2-1-3-5-16/h1-12,23H,13-14H2,(H2,22,24,27)InChIKey
DXYZRMJFKRTOQH-UHFFFAOYSA-NSynonyms
((2HBENZO(34D)13DIOXOLEN5YLMETHYL)AMINO)((4(PHENYLAMINO)PHENYL)AMINO)METHANE1THIONE
1(13BENZODIOXOL5YLMETHYL)3(4(PHENYLAMINO)PHENYL)THIOUREA
1(4ANILINOPHENYL)3(13BENZODIOXOL5YLMETHYL)THIOUREA
C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=C(C=C3)NC4=CC=CC=C4
InChI=1SC21H19N3O2Sc2721(2213156111920(1215)26142519)24189717(81018)23164213516h11223H1314H2(H2222427)
MFCD03760056
ZINC000002841506
ZINC02841506
ZINC2841506
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