Vitas-M small molecule compound
(6E)-6-{[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-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
STL225070
SMILES CCC(c1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cc(ccc3C)[N+](=O)[O-])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 C24H26N6O3S MW 478.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N6O3S/c1-6-16(7-2)23-27-29-21(25)19(22(31)26-24(29)34-23)11-17-10-14(4)28(15(17)5)20-12-18(30(32)33)9-8-13(20)3/h8-12,16,25H,6-7H2,1-5H3/b19-11+,25-21-InChIKey
SXSGVHFZQVFHQK-JSVASRTOSA-NSynonyms
674356-55-9(6E)6((25dimethyl1(2methyl5nitrophenyl)1Hpyrrol3yl)methylidene)5imino2(pentan3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(2methyl5nitrophenyl)1Hpyrrol3yl)methylene)5imino2(pentan3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
674356559
CCC(c1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cc(ccc3C)(N+)(=O)(O))C)C2=N)s1)CC
MFCD04073221
ZINC000009281851
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