Vitas-M small molecule compound
methyl 5-chloro-3-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}sulfonyl)thiophene-2-carboxylate
Catalog ID
STL089999
SMILES COC(=O)c1sc(cc1S(=O)(=O)N1CCN(CC1)C/C=C/c1ccccc1)Cl
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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 C19H21ClN2O4S2 MW 440.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN2O4S2/c1-26-19(23)18-16(14-17(20)27-18)28(24,25)22-12-10-21(11-13-22)9-5-8-15-6-3-2-4-7-15/h2-8,14H,9-13H2,1H3/b8-5+InChIKey
VUOVEVDCOFQUKA-VMPITWQZSA-NSynonyms
(E)methyl5chloro3((4cinnamylpiperazin1yl)sulfonyl)thiophene2carboxylatehydrochloride
COC(=O)C1=C(C=C(S1)Cl)S(=O)(=O)N2CCN(CC2)CC=CC3=CC=CC=C3
COC(=O)c1sc(cc1S(=O)(=O)N1CCN(CC1)CC=Cc1ccccc1)Cl
COC(=O)c1sc(cc1S(=O)(=O)N1CCN(CC1)CC=Cc1ccccc1)ClCl
InChI=1SC19H21ClN2O4S2c12619(23)1816(1417(20)2718)28(2425)22121021(111322)958156324715h2814H913H21H3b85+
methyl5chloro3((4((2E)3phenylprop2en1yl)piperazin1yl)sulfonyl)thiophene2carboxylate
methyl5chloro3(4((E)3phenylprop2enyl)piperazin1yl)sulfonylthiophene2carboxylate
MFCD15147653
ZINC000049548380
ZINC49548380
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