Vitas-M small molecule compound
(6E)-5-imino-6-{[1-(2-methoxy-4-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(2-methylpropyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL032775
SMILES COc1cc(ccc1n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(C)C)[N+](=O)[O-]
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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 C23H24N6O4S MW 480.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N6O4S/c1-12(2)8-20-26-28-21(24)17(22(30)25-23(28)34-20)10-15-9-13(3)27(14(15)4)18-7-6-16(29(31)32)11-19(18)33-5/h6-7,9-12,24H,8H2,1-5H3/b17-10+,24-21-InChIKey
VXYHXWUQKDFZEA-FRBFVHECSA-NSynonyms
713129-85-2(6E)5imino6((1(2methoxy4nitrophenyl)25dimethyl1Hpyrrol3yl)methylidene)2(2methylpropyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino2isobutyl6((1(2methoxy4nitrophenyl)25dimethyl1Hpyrrol3yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
713129852
COc1cc(ccc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)CC(C)C)(N+)(=O)(O)
MFCD05694736
ZINC000009245428
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