Vitas-M small molecule compound

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

Catalog ID
STL224575
SMILES CCc1nn2c(=NC(=O)/C(=C\c3cc(n(c3C)c3ccc(c(c3)[N+](=O)[O-])Cl)C)/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 C20H17ClN6O3S MW 456.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN6O3S/c1-4-17-24-26-18(22)14(19(28)23-20(26)31-17)8-12-7-10(2)25(11(12)3)13-5-6-15(21)16(9-13)27(29)30/h5-9,22H,4H2,1-3H3/b14-8-,22-18-
InChIKey
PVCKYUUJQWHAFK-PEISZIJCSA-N
Synonyms
674305-62-5
(6Z)6((1(4chloro3nitrophenyl)25dimethyl1Hpyrrol3yl)methylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6((1(4chloro3nitrophenyl)25dimethyl1Hpyrrol3yl)methylene)2ethyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
674305625
CCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(c(c3)(N+)(=O)(O))Cl)C)C2=N)s1
MFCD04081528
ZINC000001313591

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Available files

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