Vitas-M small molecule compound
ethyl 4-{[(5Z)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}piperazine-1-carboxylate
Catalog ID
STK994599
SMILES CCOC(=O)N1CCN(CC1)C(=O)CN1C(=S)S/C(=C\c2ccc(cc2)CC)/C1=O
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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 C21H25N3O4S2 MW 447.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O4S2/c1-3-15-5-7-16(8-6-15)13-17-19(26)24(21(29)30-17)14-18(25)22-9-11-23(12-10-22)20(27)28-4-2/h5-8,13H,3-4,9-12,14H2,1-2H3/b17-13-InChIKey
DBZFHXGRXOERPP-LGMDPLHJSA-NSynonyms
CCC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)N3CCN(CC3)C(=O)OCC
CCOC(=O)N1CCN(CC1)C(=O)CN1C(=S)SC(=Cc2ccc(cc2)CC)C1=O
ethyl4(((5Z)5(4ethylbenzylidene)4oxo2thioxo13thiazolidin3yl)acetyl)piperazine1carboxylate
ETHYL4(2((5Z)5((4ETHYLPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETYL)PIPERAZINE1CARBOXYLATE
ETHYL4(2(5((4ETHYLPHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)ACETYL)PIPERAZINECARBOXYLATE
InChI=1SC21H25N3O4S2c13155716(8615)131719(26)24(21(29)3017)1418(25)2291123(121022)20(27)2842h5813H3491214H212H3b1713
MFCD02351838
ZINC000001180442
ZINC01180442
ZINC1180442
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