Vitas-M small molecule compound
2-{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
STK576169
SMILES O=C1N=c2sc(nn2C(=[NH2+])/C/1=C\c1cc(n(c1C)c1ccccc1[O-])C)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)16-5-3-4-6-17(16)27)10-15-18(22)26-21(23-19(15)28)29-20(24-26)13-7-8-13/h3-6,9-10,13,22,27H,7-8H2,1-2H3/b15-10+,22-18?InChIKey
UCENKAZFXGGDPO-BXODQFHZSA-NSynonyms
(6E)2CYCLOPROPYL6((1(2HYDROXYPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)5IMINO(134)THIADIAZOLO(32A)PYRIMIDIN7ONE
2(3((E)(2cyclopropyl5iminio7oxo5H(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)C5CC5
InChI=1SC21H19N5O2Sc111914(12(2)25(11)16534617(16)27)101518(22)2621(2319(15)28)2920(2426)137813h36910132227H78H212H3b1510+2218?
MFCD06597574
O=C1N=c2sc(nn2C(=(NH2+))C1=Cc1cc(n(c1C)c1ccccc1(O))C)C1CC1
ZINC000005369568
ZINC05369568
ZINC5369568
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