Vitas-M small molecule compound
(6E)-6-{[1-(4-chloro-3-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224712
SMILES CCCc1nn2c(=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 C21H19ClN6O3S MW 470.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN6O3S/c1-4-5-18-25-27-19(23)15(20(29)24-21(27)32-18)9-13-8-11(2)26(12(13)3)14-6-7-16(22)17(10-14)28(30)31/h6-10,23H,4-5H2,1-3H3/b15-9+,23-19-InChIKey
ZCBDWUSSXWYHQQ-XNMCOPNFSA-NSynonyms
674361-95-6(6E)6((1(4chloro3nitrophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4chloro3nitrophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2propyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
674361956
CCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(c(c3)(N+)(=O)(O))Cl)C)C2=N)s1
MFCD04076266
ZINC000009210381
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