Vitas-M small molecule compound
(6E)-6-({2,5-dimethyl-1-[4-(propan-2-yl)phenyl]-1H-pyrrol-3-yl}methylidene)-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL239178
SMILES O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(cc3)C(C)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 C28H32N6O2S MW 516.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N6O2S/c1-17(2)20-8-10-22(11-9-20)33-18(3)14-21(19(33)4)15-23-26(29)34-28(30-27(23)36)37-24(31-34)16-25(35)32-12-6-5-7-13-32/h8-11,14-15,17,29H,5-7,12-13,16H2,1-4H3/b23-15+,29-26-InChIKey
YKVVUVGJBNKEHA-IQUJYTIYSA-NSynonyms
847858-67-7(6E)6((25dimethyl1(4(propan2yl)phenyl)1Hpyrrol3yl)methylidene)5imino2(2oxo2(piperidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino6((1(4isopropylphenyl)25dimethyl1Hpyrrol3yl)methylene)2(2oxo2(piperidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
847858677
MFCD04185735
O=C(N1CCCCC1)Cc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(cc3)C(C)C)C)C2=N)s1
ZINC000009161259
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