Vitas-M small molecule compound
4-{3-[(E)-(2-cyclopropyl-5-iminio-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
STK595703
SMILES [O-]c1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=[NH2+])nc(s2)C1CC1
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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 C21H19N5O2S MW 405.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O2S/c1-11-9-14(12(2)25(11)15-5-7-16(27)8-6-15)10-17-18(22)26-21(23-19(17)28)29-20(24-26)13-3-4-13/h5-10,13,22,27H,3-4H2,1-2H3/b17-10+,22-18?InChIKey
MHMUJLBMPMDRBZ-QLAZQOFOSA-NSynonyms
(6E)2cyclopropyl6((1(4hydroxyphenyl)25dimethylpyrrol3yl)methylidene)5imino(134)thiadiazolo(32a)pyrimidin7one
(O)c1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=(NH2+))nc(s2)C1CC1
4(3((E)(2cyclopropyl5iminio7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)25dimethyl1Hpyrrol1yl)phenolate
CC1=CC(=C(N1C2=CC=C(C=C2)O)C)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5CC5
InChI=1SC21H19N5O2Sc111914(12(2)25(11)155716(27)8615)101718(22)2621(2319(17)28)2920(2426)133413h510132227H34H212H3b1710+2218?
MFCD06607987
ZINC000005377065
ZINC05377065
ZINC5377065
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