Vitas-M small molecule compound

(8R,8aR,9S,12S,13aR,13bR)-13-oxo-8,8a,9,10,12,13,13a,13b-octahydro-9,12-epoxyoxepino[4',5':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide

Catalog ID
STL545854
SMILES NC(=O)[C@H]1[C@@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@H]2[C@H]2N1C=Cc1c2cccc1

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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 C17H16N2O4 MW 312.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O4/c18-16(21)14-11-10-7-22-17(23-10)15(20)12(11)13-9-4-2-1-3-8(9)5-6-19(13)14/h1-6,10-14,17H,7H2,(H2,18,21)/t10-,11-,12-,13+,14-,17+/m1/s1
InChIKey
JEDXXQPSAZQCEE-OHGMRDKBSA-N
Synonyms
1214623-39-8
(1~(S)2~(R)3~(R)13~(R)14~(R)16~(S))15oxo1719dioxa4azapentacyclo(14210^(214)0^(413)0^(712))nonadeca57911tetraene3carboxamide
(8R8aR9S12S13aR13bR)13oxo88a910121313a13boctahydro912epoxyoxepino(4534)pyrrolo(21a)isoquinoline8carboxamide
1214623398
16397859
InChI=1SC17H16N2O4c1816(21)14111072217(2310)15(20)12(11)13942138(9)5619(13)14h16101417H7H2(H21821)t10111213+1417+m1s1
MFCD01548144
NC(=O)(C@H)1(C@@H)2(C@H)3CO(C@@H)(O3)C(=O)(C@H)2(C@H)2N1C=Cc1c2cccc1
ZINC000100748680
ZINC100748680

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Available files

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