Vitas-M small molecule compound
(6Z)-6-{[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-(2-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL032778
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(n(c1C)c1cc(ccc1C)[N+](=O)[O-])C)c1ccccc1C
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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 C26H22N6O3S MW 498.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N6O3S/c1-14-7-5-6-8-20(14)25-29-31-23(27)21(24(33)28-26(31)36-25)12-18-11-16(3)30(17(18)4)22-13-19(32(34)35)10-9-15(22)2/h5-13,27H,1-4H3/b21-12-,27-23-InChIKey
AGSKDGNLVIJDPQ-BGJQAUADSA-NSynonyms
(6Z)6((25dimethyl1(2methyl5nitrophenyl)1Hpyrrol3yl)methylidene)5imino2(2methylphenyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(2methyl5nitrophenyl)1Hpyrrol3yl)methylene)5imino2(otolyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD18191903
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1cc(ccc1C)(N+)(=O)(O))C)c1ccccc1C
ZINC000001900941
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