Vitas-M small molecule compound
3-[(5Z)-5-{[2-(diethylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Catalog ID
STK817262
SMILES CCN(c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCC(=O)O)CC
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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 C20H22N4O4S2 MW 446.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S2/c1-4-22(5-2)17-13(18(27)23-9-6-7-12(3)16(23)21-17)11-14-19(28)24(20(29)30-14)10-8-15(25)26/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,25,26)/b14-11-InChIKey
WAMCOIGATVLFAM-KAMYIIQDSA-NSynonyms
6616-17-73((5Z)5((2(diethylamino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((2(DIETHYLAMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
6616177
CCN(c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)CCC(=O)O)CC
CCN(CC)C1=C(C(=O)N2C=CC=C(C2=N1)C)C=C3C(=O)N(C(=S)S3)CCC(=O)O
InChI=1SC20H22N4O4S2c1422(52)1713(18(27)2396712(3)16(23)2117)111419(28)24(20(29)3014)10815(25)26h67911H45810H213H3(H2526)b1411
MFCD04446320
ZINC000016805695
ZINC16805695
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