Vitas-M small molecule compound
(6E)-6-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(methylsulfanyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224352
SMILES CSc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cc(C)cc(c3)C)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 C21H21N5OS2 MW 423.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5OS2/c1-11-6-12(2)8-16(7-11)25-13(3)9-15(14(25)4)10-17-18(22)26-20(23-19(17)27)29-21(24-26)28-5/h6-10,22H,1-5H3/b17-10+,22-18-InChIKey
NXCNJYJMKVVRMB-ZFAXADBMSA-NSynonyms
844460-92-0(6E)6((1(35dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(methylsulfanyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(35dimethylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(methylthio)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
844460920
CSc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cc(C)cc(c3)C)C)C2=N)s1
MFCD04156995
ZINC000009192204
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