Vitas-M small molecule compound
ethyl 4-{[5-(3-methyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-2-yl)-1,3,4-thiadiazol-2-yl]amino}benzoate
Catalog ID
STL079799
SMILES CCOC(=O)c1ccc(cc1)Nc1nnc(s1)c1sc2c(c1C)c(=O)n1c(n2)CCC1
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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 C21H19N5O3S2 MW 453.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O3S2/c1-3-29-20(28)12-6-8-13(9-7-12)22-21-25-24-18(31-21)16-11(2)15-17(30-16)23-14-5-4-10-26(14)19(15)27/h6-9H,3-5,10H2,1-2H3,(H,22,25)InChIKey
SLFFFWIAGOLQAN-UHFFFAOYSA-NSynonyms
890630-69-0890630690
CCOC(=O)C1=CC=C(C=C1)NC2=NN=C(S2)C3=C(C4=C(S3)N=C5CCCN5C4=O)C
ethyl4((5(3methyl4oxo4678tetrahydropyrrolo(12a)thieno(23d)pyrimidin2yl)134thiadiazol2yl)amino)benzoate
ETHYL4((5(3METHYL4OXO5HYDROPYRROLIDINO(12A)THIOPHENO(23D)PYRIMIDIN2YL)134THIADIAZOL2YL)AMINO)BENZOATE
InChI=1SC21H19N5O3S2c132920(28)126813(9712)2221252418(3121)1611(2)1517(3016)2314541026(14)19(15)27h69H3510H212H3(H2225)
MFCD08236330
ZINC000010383264
ZINC10383264
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