Vitas-M small molecule compound
(2E)-N-{[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl}-3-(thiophen-2-yl)prop-2-enamide
Catalog ID
STL062637
SMILES S=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)NC(=O)/C=C/c1cccs1
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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 C20H23N3O3S3 MW 449.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O3S3/c24-19(12-9-17-6-5-15-28-17)22-20(27)21-16-7-10-18(11-8-16)29(25,26)23-13-3-1-2-4-14-23/h5-12,15H,1-4,13-14H2,(H2,21,22,24,27)/b12-9+InChIKey
BRQYEEXFDJUZJM-FMIVXFBMSA-NSynonyms
658071-50-2(2E)N((4(azepan1ylsulfonyl)phenyl)carbamothioyl)3(thiophen2yl)prop2enamide
(E)N((4(AZEPAN1YLSULFONYL)PHENYL)CARBAMOTHIOYL)3THIOPHEN2YLPROP2ENAMIDE
658071502
C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CS3
InChI=1SC20H23N3O3S3c2419(1291765152817)2220(27)211671018(11816)29(2526)231331241423h51215H141314H2(H221222427)b129+
MFCD03628307
S=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)NC(=O)C=Cc1cccs1
ZINC000001298171
ZINC01298171
ZINC1298171
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