Vitas-M small molecule compound
propan-2-yl 2,3-dioxo-1,10a-diphenyl-2,3,5,10a-tetrahydro-1H-pyrrolo[2,3-b][1,5]benzothiazepine-4-carboxylate
Catalog ID
STL329817
SMILES CC(OC(=O)C1=C2C(=O)C(=O)N(C2(Sc2c(N1)cccc2)c1ccccc1)c1ccccc1)C
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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 C27H22N2O4S MW 470.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O4S/c1-17(2)33-26(32)23-22-24(30)25(31)29(19-13-7-4-8-14-19)27(22,18-11-5-3-6-12-18)34-21-16-10-9-15-20(21)28-23/h3-17,28H,1-2H3InChIKey
XKOCTEDSCXLXAW-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1=C2C(=O)C(=O)N(C2(SC3=CC=CC=C3N1)C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC27H22N2O4Sc117(2)3326(32)232224(30)25(31)29(19137481419)27(2218115361218)3421161091520(21)2823h31728H12H3
isopropyl23dioxo110adiphenyl23510atetrahydro1Hbenzo(b)pyrrolo(32f)(14)thiazepine4carboxylate
MFCD01113793
propan2yl23dioxo110adiphenyl23510atetrahydro1Hpyrrolo(23b)(15)benzothiazepine4carboxylate
PROPAN2YL23DIOXO110ADIPHENYL5HPYRROLO(23B)(15)BENZOTHIAZEPINE4CARBOXYLATE
ZINC000002198585
ZINC000002198587
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