Vitas-M small molecule compound

(2E)-N-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)-3-(furan-2-yl)prop-2-enamide

Catalog ID
STL355921
SMILES COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccco1

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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 C20H19N5O6S2 MW 489.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O6S2/c1-29-18-12-16(22-19(24-18)30-2)25-33(27,28)15-8-5-13(6-9-15)21-20(32)23-17(26)10-7-14-4-3-11-31-14/h3-12H,1-2H3,(H,22,24,25)(H2,21,23,26,32)/b10-7+
InChIKey
DBCPYXMSUUANMP-JXMROGBWSA-N
Synonyms
306766-85-8
(2E)N((4((26dimethoxypyrimidin4yl)sulfamoyl)phenyl)carbamothioyl)3(furan2yl)prop2enamide
(E)N((4((26DIMETHOXYPYRIMIDIN4YL)SULFAMOYL)PHENYL)CARBAMOTHIOYL)3(FURAN2YL)PROP2ENAMIDE
(E)N((4(N(26dimethoxypyrimidin4yl)sulfamoyl)phenyl)carbamothioyl)3(furan2yl)acrylamide
306766858
COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CO3)OC
COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)C=Cc1ccco1
InChI=1SC20H19N5O6S2c129181216(2219(2418)302)2533(2728)158513(6915)2120(32)2317(26)1071443113114h312H12H3(H222425)(H221232632)b107+
MFCD00320998
ZINC000002370840
ZINC02370840
ZINC2370840

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Available files

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