Vitas-M small molecule compound
ethyl 4-[(2-methyl-5-{3-[(methylsulfanyl)methyl][1,2,4]triazolo[3,4-a]phthalazin-6-yl}phenyl)sulfonyl]piperazine-1-carboxylate
Catalog ID
STK796544
SMILES CSCc1nnc2n1nc(c1ccc(c(c1)S(=O)(=O)N1CCN(CC1)C(=O)OCC)C)c1c2cccc1
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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 C25H28N6O4S2 MW 540.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N6O4S2/c1-4-35-25(32)29-11-13-30(14-12-29)37(33,34)21-15-18(10-9-17(21)2)23-19-7-5-6-8-20(19)24-27-26-22(16-36-3)31(24)28-23/h5-10,15H,4,11-14,16H2,1-3H3InChIKey
NTPCJBXAGUINCT-UHFFFAOYSA-NSynonyms
900884-78-8900884788
CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=NN4C(=NN=C4C5=CC=CC=C53)CSC)C
ethyl4((2methyl5(3((methylsulfanyl)methyl)(124)triazolo(34a)phthalazin6yl)phenyl)sulfonyl)piperazine1carboxylate
ethyl4((2methyl5(3((methylthio)methyl)(124)triazolo(34a)phthalazin6yl)phenyl)sulfonyl)piperazine1carboxylate
ETHYL4(2METHYL5(3(METHYLSULFANYLMETHYL)(124)TRIAZOLO(34A)PHTHALAZIN6YL)PHENYL)SULFONYLPIPERAZINE1CARBOXYLATE
InChI=1SC25H28N6O4S2c143525(32)29111330(141229)37(3334)211518(10917(21)2)2319756820(19)24272622(16363)31(24)2823h51015H4111416H213H3
MFCD06777816
ZINC000097956680
ZINC97956680
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