Vitas-M small molecule compound
(2E)-3-(3,4-dimethoxyphenyl)-N-{[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}prop-2-enamide
Catalog ID
STL062575
SMILES COc1cc(/C=C/C(=O)NC(=S)Nc2ccc(cc2)S(=O)(=O)N2CCCC2)ccc1OC
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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 C22H25N3O5S2 MW 475.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O5S2/c1-29-19-11-5-16(15-20(19)30-2)6-12-21(26)24-22(31)23-17-7-9-18(10-8-17)32(27,28)25-13-3-4-14-25/h5-12,15H,3-4,13-14H2,1-2H3,(H2,23,24,26,31)/b12-6+InChIKey
WOXBXBJIOSPAIX-WUXMJOGZSA-NSynonyms
648878-33-5(2E)3(34dimethoxyphenyl)N((4(pyrrolidin1ylsulfonyl)phenyl)carbamothioyl)prop2enamide
(E)3(34DIMETHOXYPHENYL)N((4PYRROLIDIN1YLSULFONYLPHENYL)CARBAMOTHIOYL)PROP2ENAMIDE
648878335
COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC
COc1cc(C=CC(=O)NC(=S)Nc2ccc(cc2)S(=O)(=O)N2CCCC2)ccc1OC
InChI=1SC22H25N3O5S2c1291911516(1520(19)302)61221(26)2422(31)23177918(10817)32(2728)2513341425h51215H341314H212H3(H223242631)b126+
MFCD03591397
ZINC000000937814
ZINC00937814
ZINC937814
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