Vitas-M small molecule compound
3-{3-[(E)-(5-iminio-2-methyl-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenolate
Catalog ID
STK592913
SMILES [O-]c1cccc(c1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=[NH2+])nc(s2)C
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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 C19H17N5O2S MW 379.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N5O2S/c1-10-7-13(11(2)23(10)14-5-4-6-15(25)9-14)8-16-17(20)24-19(21-18(16)26)27-12(3)22-24/h4-9,20,25H,1-3H3/b16-8+,20-17?InChIKey
BQEJSOXNYLUUDN-MZAFNCFESA-NSynonyms
(6E)6((1(3HYDROXYPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)5IMINO2METHYL(134)THIADIAZOLO(32A)PYRIMIDIN7ONE
(O)c1cccc(c1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=(NH2+))nc(s2)C
3(3((E)(5iminio2methyl7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)25dimethyl1Hpyrrol1yl)phenolate
CC1=CC(=C(N1C2=CC(=CC=C2)O)C)C=C3C(=N)N4C(=NC3=O)SC(=N4)C
InChI=1SC19H17N5O2Sc110713(11(2)23(10)1454615(25)914)81617(20)2419(2118(16)26)2712(3)2224h492025H13H3b168+2017?
MFCD06597426
ZINC000005369507
ZINC05369507
ZINC5369507
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