Vitas-M small molecule compound
(2S,11aS)-2-hydroxy-10-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
Catalog ID
STL534968
SMILES COc1cccc(c1)C(=O)CN1C(=O)[C@@H]2C[C@@H](CN2C(=O)c2c1cccc2)O
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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 C21H20N2O5 MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5/c1-28-15-6-4-5-13(9-15)19(25)12-23-17-8-3-2-7-16(17)20(26)22-11-14(24)10-18(22)21(23)27/h2-9,14,18,24H,10-12H2,1H3/t14-,18-/m0/s1InChIKey
WMIKYUGUGPYKDM-KSSFIOAISA-NSynonyms
956971-53-2(2S11aS)2hydroxy10(2(3methoxyphenyl)2oxoethyl)23dihydro1Hbenzo(e)pyrrolo(12a)(14)diazepine511(10H11aH)dione
(2S11aS)2hydroxy10(2(3methoxyphenyl)2oxoethyl)23dihydro1Hpyrrolo(21c)(14)benzodiazepine511(10H11aH)dione
(6~(a)~(S)8~(S))8hydroxy5(2(3methoxyphenyl)2oxoethyl)6~(a)789tetrahydropyrrolo(21c)(14)benzodiazepine611dione
16408377
956971532
COc1cccc(c1)C(=O)CN1C(=O)(C@@H)2C(C@@H)(CN2C(=O)c2c1cccc2)O
InChI=1SC21H20N2O5c1281564513(915)19(25)122317832716(17)20(26)221114(24)1018(22)21(23)27h29141824H1012H21H3t1418m0s1
MFCD08742680
ZINC000012896209
ZINC12896209
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