Vitas-M small molecule compound
[(5Z)-5-{[7-methyl-4-oxo-2-(pentylamino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STL200814
SMILES CCCCCNc1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CC(=O)O)C
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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/c1-3-4-5-8-21-17-13(18(27)23-10-12(2)6-7-15(23)22-17)9-14-19(28)24(11-16(25)26)20(29)30-14/h6-7,9-10,21H,3-5,8,11H2,1-2H3,(H,25,26)/b14-9-InChIKey
DHQKVNCXIACTCN-ZROIWOOFSA-NSynonyms
((5Z)5((7methyl4oxo2(pentylamino)4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5Z)5((7METHYL4OXO2(PENTYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
CCCCCNC1=C(C(=O)N2C=C(C=CC2=N1)C)C=C3C(=O)N(C(=S)S3)CC(=O)O
CCCCCNc1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)CC(=O)O)C
InChI=1SC20H22N4O4S2c13458211713(18(27)231012(2)6715(23)2217)91419(28)24(1116(25)26)20(29)3014h6791021H35811H212H3(H2526)b149
MFCD04447693
ZINC000016736677
ZINC16736677
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