Vitas-M small molecule compound

(6Z)-5-imino-6-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Catalog ID
STK556851
SMILES O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccc(cc3)[N+](=O)[O-])/C2=N)s1

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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 C22H18N6O5S MW 478.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N6O5S/c23-20-16(11-15-7-8-17(33-15)13-3-5-14(6-4-13)28(31)32)21(30)24-22-27(20)25-18(34-22)12-19(29)26-9-1-2-10-26/h3-8,11,23H,1-2,9-10,12H2/b16-11-,23-20-
InChIKey
KFKRZSXEXFATPM-CDTXGEGNSA-N
Synonyms
573945-38-7
(6Z)5imino6((5(4nitrophenyl)furan2yl)methylidene)2(2oxo2(pyrrolidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)5imino6((5(4nitrophenyl)furan2yl)methylene)2(2oxo2(pyrrolidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
573945387
MFCD04020911
O=C(N1CCCC1)Cc1nn2c(=NC(=O)C(=Cc3ccc(o3)c3ccc(cc3)(N+)(=O)(O))C2=N)s1
ZINC000009312691

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Available files

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