Vitas-M small molecule compound
ethyl (3-oxo-1-{[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}piperazin-2-yl)acetate
Catalog ID
STK125246
SMILES CCOC(=O)CC1C(=O)NCCN1C(=S)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 C16H19N3O4S2 MW 381.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O4S2/c1-2-23-14(21)10-12-15(22)17-7-8-19(12)16(24)18-13(20)6-5-11-4-3-9-25-11/h3-6,9,12H,2,7-8,10H2,1H3,(H,17,22)(H,18,20,24)/b6-5+InChIKey
UXOBUCYAVMGLPP-AATRIKPKSA-NSynonyms
1008036-18-71008036187
CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C=Cc1cccs1
CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C=CC2=CC=CS2
ETHYL(3OXO1(((2E)3(THIOPHEN2YL)PROP2ENOYL)CARBAMOTHIOYL)PIPERAZIN2YL)ACETATE
ETHYL2(3OXO1(((E)3THIOPHEN2YLPROP2ENOYL)CARBAMOTHIOYL)PIPERAZIN2YL)ACETATE
InChI=1SC16H19N3O4S2c122314(21)101215(22)177819(12)16(24)1813(20)65114392511h36912H27810H21H3(H1722)(H182024)b65+
MFCD05023183
ZINC000002701564
ZINC000002701567
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