Vitas-M small molecule compound

(2E)-N-{[4-(diprop-2-en-1-ylsulfamoyl)phenyl]carbamothioyl}-3-(thiophen-2-yl)prop-2-enamide

Catalog ID
STL063831
SMILES C=CCN(S(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1cccs1)CC=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 C20H21N3O3S3 MW 447.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3S3/c1-3-13-23(14-4-2)29(25,26)18-10-7-16(8-11-18)21-20(27)22-19(24)12-9-17-6-5-15-28-17/h3-12,15H,1-2,13-14H2,(H2,21,22,24,27)/b12-9+
InChIKey
YFNYACGBWPMCSO-FMIVXFBMSA-N
Synonyms

(2E)N((4(diprop2en1ylsulfamoyl)phenyl)carbamothioyl)3(thiophen2yl)prop2enamide
(E)N((4(BIS(PROP2ENYL)SULFAMOYL)PHENYL)CARBAMOTHIOYL)3THIOPHEN2YLPROP2ENAMIDE
C=CCN(CC=C)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CS2
C=CCN(S(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)C=Cc1cccs1)CC=C
InChI=1SC20H21N3O3S3c131323(1442)29(2526)1810716(81118)2120(27)2219(24)1291765152817h31215H121314H2(H221222427)b129+
MFCD05870531
NNDIALLYL4((((3(2THIENYL)ACRYLOYL)AMINO)CARBOTHIOYL)AMINO)BENZENESULFONAMIDE
ZINC000006058720
ZINC06058720
ZINC6058720

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.