Vitas-M small molecule compound

3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl thiophene-2-carboxylate

Catalog ID
STK252678
SMILES CC1C=CCC2C1C(=O)N(C2=O)c1cccc(c1)OC(=O)c1cccs1

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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 C20H17NO4S MW 367.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO4S/c1-12-5-2-8-15-17(12)19(23)21(18(15)22)13-6-3-7-14(11-13)25-20(24)16-9-4-10-26-16/h2-7,9-12,15,17H,8H2,1H3
InChIKey
CDXAURGGILHKJY-UHFFFAOYSA-N
Synonyms

(3(4METHYL13DIOXO3A477ATETRAHYDROISOINDOL2YL)PHENYL)THIOPHENE2CARBOXYLATE
3(4METHYL13DIOXO133A477AHEXAHYDRO2HISOINDOL2YL)PHENYLTHIOPHENE2CARBOXYLATE
CC1C=CCC2C1C(=O)N(C2=O)C3=CC(=CC=C3)OC(=O)C4=CC=CS4
InChI=1SC20H17NO4Sc1125281517(12)19(23)21(18(15)22)1363714(1113)2520(24)1694102616h279121517H8H21H3
MFCD03355583
ZINC000018241138
ZINC000239030652

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.