Vitas-M small molecule compound
(6E)-6-{[1-(4-chloro-3-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL032786
SMILES CCC(c1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(c(c3)[N+](=O)[O-])Cl)C)/C2=N)s1)CC
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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 C23H23ClN6O3S MW 498.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN6O3S/c1-5-14(6-2)22-27-29-20(25)17(21(31)26-23(29)34-22)10-15-9-12(3)28(13(15)4)16-7-8-18(24)19(11-16)30(32)33/h7-11,14,25H,5-6H2,1-4H3/b17-10+,25-20-InChIKey
MRYJWRANVQWRET-QEIANXKMSA-NSynonyms
714234-10-3(6E)6((1(4chloro3nitrophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(pentan3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4chloro3nitrophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(pentan3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
714234103
CCC(c1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(c(c3)(N+)(=O)(O))Cl)C)C2=N)s1)CC
MFCD04164167
ZINC000009281024
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