Vitas-M small molecule compound
2-(cyanomethyl)-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-yl (2,5-dioxopyrrolidin-1-yl)acetate
Catalog ID
STL440439
SMILES N#CCN1C(=C(OC(=O)CN2C(=O)CCC2=O)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1
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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 C23H17N3O7S MW 479.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O7S/c24-12-13-26-21(22(30)15-6-2-1-3-7-15)23(16-8-4-5-9-17(16)34(26,31)32)33-20(29)14-25-18(27)10-11-19(25)28/h1-9H,10-11,13-14H2InChIKey
NSCIWRYYBWDTBQ-UHFFFAOYSA-NSynonyms
885886-93-1(3benzoyl2(cyanomethyl)11dioxo1$l^(6)2benzothiazin4yl)2(25dioxopyrrolidin1yl)acetate
2(cyanomethyl)11dioxido3(phenylcarbonyl)2H12benzothiazin4yl(25dioxopyrrolidin1yl)acetate
3BENZOYL2(2NITRILOETHYL)11DIOXO12DIHYDRO1LAMBDA62BENZOTHIAZIN4YL2(25DIOXO1PYRROLIDINYL)ACETATE
885886931
C1CC(=O)N(C1=O)CC(=O)OC2=C(N(S(=O)(=O)C3=CC=CC=C32)CC#N)C(=O)C4=CC=CC=C4
InChI=1SC23H17N3O7Sc2412132621(22(30)156213715)23(16845917(16)34(2631)32)3320(29)142518(27)101119(25)28h19H10111314H2
MFCD07773458
ZINC000003766552
ZINC03766552
ZINC3766552
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