Vitas-M small molecule compound
2-{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
STK571270
SMILES Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccccc3[O-])C)/C2=[NH2+])s1
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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/c1-10-8-13(11(2)23(10)15-6-4-5-7-16(15)25)9-14-17(20)24-19(21-18(14)26)27-12(3)22-24/h4-9,20,25H,1-3H3/b14-9+,20-17?InChIKey
YCADZVDNVXFWAJ-WJNHLLBISA-NSynonyms
(6E)6((1(2HYDROXYPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)5IMINO2METHYL(134)THIADIAZOLO(32A)PYRIMIDIN7ONE
2(3((E)(5iminio2methyl7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)25dimethyl1Hpyrrol1yl)phenolate
CC1=CC(=C(N1C2=CC=CC=C2O)C)C=C3C(=N)N4C(=NC3=O)SC(=N4)C
Cc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccccc3(O))C)C2=(NH2+))s1
InChI=1SC19H17N5O2Sc110813(11(2)23(10)15645716(15)25)91417(20)2419(2118(14)26)2712(3)2224h492025H13H3b149+2017?
MFCD06605366
ZINC000005375534
ZINC05375534
ZINC5375534
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