Vitas-M small molecule compound
3-[(5Z)-5-{[9-methyl-4-oxo-2-(prop-2-en-1-ylamino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Catalog ID
STK903399
SMILES C=CCNc1nc2c(C)cccn2c(=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 C19H18N4O4S2 MW 430.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O4S2/c1-3-7-20-15-12(17(26)22-8-4-5-11(2)16(22)21-15)10-13-18(27)23(19(28)29-13)9-6-14(24)25/h3-5,8,10,20H,1,6-7,9H2,2H3,(H,24,25)/b13-10-InChIKey
XOEKQMYQRMRSCF-RAXLEYEMSA-NSynonyms
3((5Z)5((9methyl4oxo2(prop2en1ylamino)4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((9METHYL4OXO2(PROP2ENYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
C=CCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)CCC(=O)O
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC(=O)O)NCC=C
InChI=1SC19H18N4O4S2c137201512(17(26)2284511(2)16(22)2115)101318(27)23(19(28)2913)9614(24)25h3581020H1679H22H3(H2425)b1310
MFCD03444849
ZINC000013427246
ZINC13427246
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