Vitas-M small molecule compound
(6E)-6-{[2,5-dimethyl-1-(naphthalen-2-yl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL235715
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(n(c1C)c1ccc2c(c1)cccc2)C)c1cccnc1
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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 C27H20N6OS MW 476.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N6OS/c1-16-12-21(17(2)32(16)22-10-9-18-6-3-4-7-19(18)13-22)14-23-24(28)33-27(30-25(23)34)35-26(31-33)20-8-5-11-29-15-20/h3-15,28H,1-2H3/b23-14+,28-24-InChIKey
VRLUARGAVYMOBR-MOEACLASSA-NSynonyms
844836-96-0(6E)6((25dimethyl1(naphthalen2yl)1Hpyrrol3yl)methylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(naphthalen2yl)1Hpyrrol3yl)methylene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
844836960
MFCD04164191
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1ccc2c(c1)cccc2)C)c1cccnc1
ZINC000009281027
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