Vitas-M small molecule compound
(6E)-6-{[1-(3-chloro-4-methoxyphenyl)-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
STK555990
SMILES COc1ccc(cc1Cl)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
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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 C25H25ClN6O3S MW 525.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN6O3S/c1-14-10-16(15(2)31(14)17-6-7-20(35-3)19(26)12-17)11-18-23(27)32-25(28-24(18)34)36-21(29-32)13-22(33)30-8-4-5-9-30/h6-7,10-12,27H,4-5,8-9,13H2,1-3H3/b18-11+,27-23-InChIKey
BPKWCQCBBVQXLB-HYMTWLQOSA-NSynonyms
843630-48-8(6E)6((1(3chloro4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(2oxo2(pyrrolidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(2oxo2(pyrrolidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
843630488
COc1ccc(cc1Cl)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
MFCD04014954
ZINC000009458005
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