Vitas-M small molecule compound
3-[(5Z)-5-({2-[(furan-2-ylmethyl)amino]-7-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
STK813999
SMILES OC(=O)CCN1C(=S)S/C(=C\c2c(NCc3ccco3)nc3n(c2=O)cc(cc3)C)/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 C21H18N4O5S2 MW 470.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O5S2/c1-12-4-5-16-23-18(22-10-13-3-2-8-30-13)14(19(28)25(16)11-12)9-15-20(29)24(21(31)32-15)7-6-17(26)27/h2-5,8-9,11,22H,6-7,10H2,1H3,(H,26,27)/b15-9-InChIKey
WPIGOWFQRDJNLF-DHDCSXOGSA-NSynonyms
505079-03-83((5Z)5((2((furan2ylmethyl)amino)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((2(FURAN2YLMETHYLAMINO)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
3(5((2((FURAN2YLMETHYL)AMINO)7METHYL4OXO4HPYRIDO(12A)PYRIMIDIN3YL)METHYLENE)4OXO2THIOXOTHIAZOLIDIN3YL)PROPANOICACID
505079038
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC(=O)O)NCC4=CC=CO4)C=C1
InChI=1SC21H18N4O5S2c11245162318(2210133283013)14(19(28)25(16)1112)91520(29)24(21(31)3215)7617(26)27h25891122H6710H21H3(H2627)b159
MFCD03496114
OC(=O)CCN1C(=S)SC(=Cc2c(NCc3ccco3)nc3n(c2=O)cc(cc3)C)C1=O
ZINC000002508688
ZINC2508688
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.