Vitas-M small molecule compound

[(5Z)-5-{[2-(2-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid

Catalog ID
STK707421
SMILES OC(=O)CN1C(=S)S/C(=C\c2c(Oc3ccccc3F)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 C20H12FN3O5S2 MW 457.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12FN3O5S2/c21-12-5-1-2-6-13(12)29-17-11(18(27)23-8-4-3-7-15(23)22-17)9-14-19(28)24(10-16(25)26)20(30)31-14/h1-9H,10H2,(H,25,26)/b14-9-
InChIKey
KAYFNJQERJKWGX-ZROIWOOFSA-N
Synonyms
848870-60-0
((5Z)5((2(2fluorophenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
(Z)2(5((2(2fluorophenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)aceticacid
2((5Z)5((2(2fluorophenoxy)4oxo1Hpyrido(12a)pyrimidin5ium3yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)acetate
2((5Z)5((2(2FLUOROPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
848870600
C1=CC=C(C(=C1)OC2=C(C(=O)(N+)3=CC=CC=C3N2)C=C4C(=O)N(C(=S)S4)CC(=O)(O))F
InChI=1SC20H12FN3O5S2c2112512613(12)291711(18(27)23843715(23)2217)91419(28)24(1016(25)26)20(30)3114h19H10H2(H2526)b149
MFCD04197669
OC(=O)CN1C(=S)SC(=Cc2c(Oc3ccccc3F)nc3n(c2=O)cccc3)C1=O
ZINC000009210516
ZINC09210516
ZINC9210516

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Available files

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