Vitas-M small molecule compound
{(5Z)-5-[(9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
Catalog ID
STK810710
SMILES OC(=O)CN1C(=S)S/C(=C\c2c(NCCCN3CCOCC3)nc3n(c2=O)cccc3C)/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 C22H25N5O5S2 MW 503.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O5S2/c1-14-4-2-7-26-19(14)24-18(23-5-3-6-25-8-10-32-11-9-25)15(20(26)30)12-16-21(31)27(13-17(28)29)22(33)34-16/h2,4,7,12,23H,3,5-6,8-11,13H2,1H3,(H,28,29)/b16-12-InChIKey
IUGFJBNICIOEJW-VBKFSLOCSA-NSynonyms
((5Z)5((9methyl2((3(morpholin4yl)propyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5Z)5((9METHYL2(3MORPHOLIN4YLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC(=O)O)NCCCN4CCOCC4
InChI=1SC22H25N5O5S2c1144272619(14)2418(23536258103211925)15(20(26)30)121621(31)27(1317(28)29)22(33)3416h2471223H35681113H21H3(H2829)b1612
MFCD03933020
OC(=O)CN1C(=S)SC(=Cc2c(NCCCN3CCOCC3)nc3n(c2=O)cccc3C)C1=O
ZINC000016701227
ZINC16701227
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