Vitas-M small molecule compound

benzyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

Catalog ID
STK405446
SMILES O=C(c1[nH]c2c(c1C)C(=O)CC(C2)c1cccs1)OCc1ccccc1

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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 C21H19NO3S MW 365.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO3S/c1-13-19-16(10-15(11-17(19)23)18-8-5-9-26-18)22-20(13)21(24)25-12-14-6-3-2-4-7-14/h2-9,15,22H,10-12H2,1H3
InChIKey
ZWZWTRHNCZBJOL-UHFFFAOYSA-N
Synonyms

benzyl3methyl4oxo6(thiophen2yl)4567tetrahydro1Hindole2carboxylate
benzyl3methyl4oxo6thiophen2yl1567tetrahydroindole2carboxylate
CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CS3)C(=O)OCC4=CC=CC=C4
InChI=1SC21H19NO3Sc1131916(1015(1117(19)23)188592618)2220(13)21(24)2512146324714h291522H1012H21H3
MFCD06006162
O=C(c1(nH)c2c(c1C)C(=O)CC(C2)c1cccs1)OCc1ccccc1
PHENYLMETHYL3METHYL4OXO6(2THIENYL)567TRIHYDROINDOLE2CARBOXYLATE
ZINC000002469529
ZINC000002469530

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Available files

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