Vitas-M small molecule compound

1-oxo-2-(thiophen-2-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid

Catalog ID
STK384105
SMILES OC(=O)C1C2C=CC3(C1C(=O)N(C3)Cc1cccs1)O2

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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 C14H13NO4S MW 291.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13NO4S/c16-12-11-10(13(17)18)9-3-4-14(11,19-9)7-15(12)6-8-2-1-5-20-8/h1-5,9-11H,6-7H2,(H,17,18)
InChIKey
UDUGSHGYQZDWDK-UHFFFAOYSA-N
Synonyms
1185549-47-6
(3aS6R7aR)1oxo2(thiophen2ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxylicacid
1185549476
1oxo2(thiophen2ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxylicacid
4OXO3(2THIENYLMETHYL)10OXA3AZATRICYCLO(
4OXO3(THIEN2YLMETHYL)10OXA3AZATRICYCLO(
4OXO3THIOPHEN2YLMETHYL10OXA3AZATRICYCLO(
C1C23C=CC(O2)C(C3C(=O)N1CC4=CC=CS4)C(=O)O
InChI=1SC14H13NO4Sc16121110(13(17)18)93414(11199)715(12)68215208h15911H67H2(H1718)
MFCD04116079
OC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)Cc1cccs1)O2
ZINC000100001981
ZINC000239415310

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Available files

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