Vitas-M small molecule compound

N-cyclopentyl-2-(5-methoxy-1,3-benzothiazol-2-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide

Catalog ID
STL043071
SMILES COc1ccc2c(c1)nc(s2)N1CC23C(C1=O)C(C(O3)C=C2)C(=O)NC1CCCC1

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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 C22H23N3O4S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4S/c1-28-13-6-7-16-14(10-13)24-21(30-16)25-11-22-9-8-15(29-22)17(18(22)20(25)27)19(26)23-12-4-2-3-5-12/h6-10,12,15,17-18H,2-5,11H2,1H3,(H,23,26)
InChIKey
IYFIFVRJEYGKAR-UHFFFAOYSA-N
Synonyms

(6R)Ncyclopentyl2(5methoxybenzo(d)thiazol2yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
COC1=CC2=C(C=C1)SC(=N2)N3CC45C=CC(O4)C(C5C3=O)C(=O)NC6CCCC6
COc1ccc2c(c1)nc(s2)N1C(C@)23(C@H)(C1=O)(C@H)((C@@H)(O3)C=C2)C(=O)NC1CCCC1
InChI=1SC22H23N3O4Sc12813671614(1013)2421(3016)2511229815(2922)17(18(22)20(25)27)19(26)2312423512h61012151718H2511H21H3(H2326)
MFCD08293090
Ncyclopentyl2(5methoxy13benzothiazol2yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
ZINC000015905446
ZINC000245246119

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Available files

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