Vitas-M small molecule compound
methyl 4-(2-amino-6-benzyl-3-cyano-5,5-dioxido-4,6-dihydropyrano[3,2-c][2,1]benzothiazin-4-yl)benzoate
Catalog ID
STL081669
SMILES COC(=O)c1ccc(cc1)C1C(=C(N)OC2=C1S(=O)(=O)N(c1c2cccc1)Cc1ccccc1)C#N
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H21N3O5S MW 499.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O5S/c1-34-27(31)19-13-11-18(12-14-19)23-21(15-28)26(29)35-24-20-9-5-6-10-22(20)30(36(32,33)25(23)24)16-17-7-3-2-4-8-17/h2-14,23H,16,29H2,1H3InChIKey
UCTQCGCJSIUWAS-UHFFFAOYSA-NSynonyms
893288-65-8893288658
COC(=O)C1=CC=C(C=C1)C2C(=C(OC3=C2S(=O)(=O)N(C4=CC=CC=C43)CC5=CC=CC=C5)N)C#N
InChI=1SC27H21N3O5Sc13427(31)19131118(121419)2321(1528)26(29)3524209561022(20)30(36(3233)25(23)24)16177324817h21423H1629H21H3
METHYL4(2AMINO6BENZYL3CYANO55DIOXIDO46DIHYDROBENZO(C)PYRANO(23E)(12)THIAZIN4YL)BENZOATE
methyl4(2amino6benzyl3cyano55dioxido46dihydropyrano(32c)(21)benzothiazin4yl)benzoate
methyl4(2amino6benzyl3cyano55dioxo4Hpyrano(32c)(21)benzothiazin4yl)benzoate
MFCD14914377
ZINC000020558257
ZINC000020558259
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