Vitas-M small molecule compound
(6E)-2-(ethylsulfanyl)-5-imino-6-{[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224554
SMILES CCSc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cc(C)ccc3OC)C)/C2=N)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 C22H23N5O2S2 MW 453.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O2S2/c1-6-30-22-25-27-19(23)16(20(28)24-21(27)31-22)11-15-10-13(3)26(14(15)4)17-9-12(2)7-8-18(17)29-5/h7-11,23H,6H2,1-5H3/b16-11+,23-19-InChIKey
NDNUGDGAZLRKPG-VDAMJLSOSA-NSynonyms
862105-02-0(6E)2(ethylsulfanyl)5imino6((1(2methoxy5methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2(ethylthio)5imino6((1(2methoxy5methylphenyl)25dimethyl1Hpyrrol3yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
862105020
CCSc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cc(C)ccc3OC)C)C2=N)s1
MFCD05686715
ZINC000009309334
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