Vitas-M small molecule compound
methyl [5-amino-6-cyano-8-(dimethylcarbamoyl)-7-(3-methoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate
Catalog ID
STL440380
SMILES COC(=O)CC1SC2=C(C(=O)N(C)C)C(C(=C(N2C1=O)N)C#N)c1cccc(c1)OC
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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 C21H22N4O5S MW 442.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O5S/c1-24(2)20(28)17-16(11-6-5-7-12(8-11)29-3)13(10-22)18(23)25-19(27)14(31-21(17)25)9-15(26)30-4/h5-8,14,16H,9,23H2,1-4H3InChIKey
UXHRPHRFENCNFZ-UHFFFAOYSA-NSynonyms
CN(C)C(=O)C1=C2N(C(=O)C(S2)CC(=O)OC)C(=C(C1C3=CC(=CC=C3)OC)C#N)N
InChI=1SC21H22N4O5Sc124(2)20(28)1716(1165712(811)293)13(1022)18(23)2519(27)14(3121(17)25)915(26)304h581416H923H214H3
methyl(5amino6cyano8(dimethylcarbamoyl)7(3methoxyphenyl)3oxo23dihydro7H(13)thiazolo(32a)pyridin2yl)acetate
METHYL2(5AMINO6CYANO8((DIMETHYLAMINO)CARBONYL)7(3METHOXYPHENYL)3OXO23DIHYDRO7H(13)THIAZOLO(32A)PYRIDIN2YL)ACETATE
METHYL2(5AMINO6CYANO8(DIMETHYLCARBAMOYL)7(3METHOXYPHENYL)3OXO7H(13)THIAZOLO(32A)PYRIDIN2YL)ACETATE
MFCD06242206
ZINC000003770098
ZINC000003770101
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