Vitas-M small molecule compound
(6E)-6-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL237799
SMILES O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(c(c3)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 C26H28N6O2S MW 488.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N6O2S/c1-15-7-8-20(11-16(15)2)31-17(3)12-19(18(31)4)13-21-24(27)32-26(28-25(21)34)35-22(29-32)14-23(33)30-9-5-6-10-30/h7-8,11-13,27H,5-6,9-10,14H2,1-4H3/b21-13+,27-24-InChIKey
JAWIPJYROPXMBE-CIFGJUBISA-NSynonyms
848988-53-4(6E)6((1(34dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(2oxo2(pyrrolidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(34dimethylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(2oxo2(pyrrolidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848988534
MFCD05678728
O=C(N1CCCC1)Cc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(c(c3)C)C)C)C2=N)s1
ZINC000009273574
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