Vitas-M small molecule compound

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

Catalog ID
STL052985
SMILES O=C(N1CCCC1)Cc1nn2c(=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 C24H22ClN7O4S MW 540.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN7O4S/c1-13-9-15(14(2)30(13)16-5-6-18(25)19(11-16)32(35)36)10-17-22(26)31-24(27-23(17)34)37-20(28-31)12-21(33)29-7-3-4-8-29/h5-6,9-11,26H,3-4,7-8,12H2,1-2H3/b17-10+,26-22-
InChIKey
BFHYYEJOFKRWRI-NPHJGHLLSA-N
Synonyms
713085-89-3
(6E)6((1(4chloro3nitrophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(2oxo2(pyrrolidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4chloro3nitrophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(2oxo2(pyrrolidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
713085893
MFCD04164724
O=C(N1CCCC1)Cc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(c(c3)(N+)(=O)(O))Cl)C)C2=N)s1
ZINC000101108373

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Available files

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