Vitas-M small molecule compound
3-[(5Z)-5-{[2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Catalog ID
STK903444
SMILES CCN1CCN(CC1)c1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCC(=O)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 C21H23N5O4S2 MW 473.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O4S2/c1-2-23-9-11-24(12-10-23)18-14(19(29)25-7-4-3-5-16(25)22-18)13-15-20(30)26(21(31)32-15)8-6-17(27)28/h3-5,7,13H,2,6,8-12H2,1H3,(H,27,28)/b15-13-InChIKey
OKAVLQNDNBMBFB-SQFISAMPSA-NSynonyms
3((5Z)5((2(4ethylpiperazin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((2(4ETHYLPIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
CCN1CCN(CC1)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)CCC(=O)O
CCN1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CCC(=O)O
InChI=1SC21H23N5O4S2c122391124(121023)1814(19(29)25743516(25)2218)131520(30)26(21(31)3215)8617(27)28h35713H26812H21H3(H2728)b1513
MFCD03444855
ZINC000013427261
ZINC13427261
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