Vitas-M small molecule compound

(2E)-N-({4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}carbamothioyl)-3-phenylprop-2-enamide

Catalog ID
STL334525
SMILES COc1nccnc1NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccccc1

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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 C21H19N5O4S2 MW 469.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O4S2/c1-30-20-19(22-13-14-23-20)26-32(28,29)17-10-8-16(9-11-17)24-21(31)25-18(27)12-7-15-5-3-2-4-6-15/h2-14H,1H3,(H,22,26)(H2,24,25,27,31)/b12-7+
InChIKey
NUMZNWMRXNYYDD-KPKJPENVSA-N
Synonyms
1164527-86-9
(2E)N((4((3methoxypyrazin2yl)sulfamoyl)phenyl)carbamothioyl)3phenylprop2enamide
(E)N((4((3METHOXYPYRAZIN2YL)SULFAMOYL)PHENYL)CARBAMOTHIOYL)3PHENYLPROP2ENAMIDE
1164527869
COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3
COc1nccnc1NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)C=Cc1ccccc1
InChI=1SC21H19N5O4S2c1302019(2213142320)2632(2829)1710816(91117)2421(31)2518(27)127155324615h214H1H3(H2226)(H224252731)b127+
MFCD00331384
N((4(N(3methoxypyrazin2yl)sulfamoyl)phenyl)carbamothioyl)cinnamamide
N(3METHOXYPYRAZIN2YL)4(3(3PHENYLACRYLOYL)THIOUREIDO)BENZENESULFONAMIDE
ZINC000002227182
ZINC2227182

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Available files

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