Vitas-M small molecule compound
N-[(1E)-3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3,4-dimethoxybenzamide
Catalog ID
STK832033
SMILES COc1cc(ccc1OC)C(=O)N/C(=C/c1cccs1)/C(=O)N1CCCCCC1
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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 C22H26N2O4S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O4S/c1-27-19-10-9-16(14-20(19)28-2)21(25)23-18(15-17-8-7-13-29-17)22(26)24-11-5-3-4-6-12-24/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,23,25)/b18-15+InChIKey
FRNWEWGYVHDTSN-OBGWFSINSA-NSynonyms
(E)N(3(azepan1yl)3oxo1(thiophen2yl)prop1en2yl)34dimethoxybenzamide
COC1=C(C=C(C=C1)C(=O)NC(=CC2=CC=CS2)C(=O)N3CCCCCC3)OC
COc1cc(ccc1OC)C(=O)NC(=Cc1cccs1)C(=O)N1CCCCCC1
InChI=1SC22H26N2O4Sc1271910916(1420(19)282)21(25)2318(151787132917)22(26)241153461224h7101315H361112H212H3(H2325)b1815+
MFCD02990091
N((1E)3(azepan1yl)3oxo1(thiophen2yl)prop1en2yl)34dimethoxybenzamide
N((E)3(AZEPAN1YL)3OXO1THIOPHEN2YLPROP1EN2YL)34DIMETHOXYBENZAMIDE
ZINC000004756064
ZINC04756064
ZINC4756064
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