Vitas-M small molecule compound
[(5Z)-5-{[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK905073
SMILES OC(=O)CN1C(=S)S/C(=C\c2c(Oc3ccc(cc3)C(C)(C)C)nc3n(c2=O)cccc3)/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 C24H21N3O5S2 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O5S2/c1-24(2,3)14-7-9-15(10-8-14)32-20-16(21(30)26-11-5-4-6-18(26)25-20)12-17-22(31)27(13-19(28)29)23(33)34-17/h4-12H,13H2,1-3H3,(H,28,29)/b17-12-InChIKey
CHOBSHIKUSUQDD-ATVHPVEESA-NSynonyms
((5Z)5((2(4tertbutylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5Z)5((2(4tertbutylphenoxy)4oxopyrido(12a)pyrimidin3yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
CC(C)(C)C1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CC(=O)O
InChI=1SC24H21N3O5S2c124(23)147915(10814)322016(21(30)261154618(26)2520)121722(31)27(1319(28)29)23(33)3417h412H13H213H3(H2829)b1712
MFCD18076229
OC(=O)CN1C(=S)SC(=Cc2c(Oc3ccc(cc3)C(C)(C)C)nc3n(c2=O)cccc3)C1=O
ZINC000040221192
ZINC40221192
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