Vitas-M small molecule compound
(6E)-6-{[2,5-dimethyl-1-(naphthalen-2-yl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-(thiophen-2-ylmethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224927
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(n(c1C)c1ccc2c(c1)cccc2)C)Cc1cccs1
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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 C27H21N5OS2 MW 495.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5OS2/c1-16-12-20(17(2)31(16)21-10-9-18-6-3-4-7-19(18)13-21)14-23-25(28)32-27(29-26(23)33)35-24(30-32)15-22-8-5-11-34-22/h3-14,28H,15H2,1-2H3/b23-14+,28-25-InChIKey
OGORIWPMIQRFPO-JWFYUTLFSA-NSynonyms
844454-46-2(6E)6((25dimethyl1(naphthalen2yl)1Hpyrrol3yl)methylidene)5imino2(thiophen2ylmethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(naphthalen2yl)1Hpyrrol3yl)methylene)5imino2(thiophen2ylmethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
844454462
MFCD04156058
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1ccc2c(c1)cccc2)C)Cc1cccs1
ZINC000009192004
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