Vitas-M small molecule compound

methyl 5-ethyl-2-{[(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetyl]amino}thiophene-3-carboxylate

Catalog ID
STL019118
SMILES COC(=O)c1cc(sc1NC(=O)CC1Nc2cccc3c2c(NC1=O)ccc3)CC

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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 C22H21N3O4S MW 423.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4S/c1-3-13-10-14(22(28)29-2)21(30-13)25-18(26)11-17-20(27)24-16-9-5-7-12-6-4-8-15(23-17)19(12)16/h4-10,17,23H,3,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKey
BYNBOLOESOPZAX-UHFFFAOYSA-N
Synonyms
1022918-76-8
1022918768
CCC1=CC(=C(S1)NC(=O)CC2C(=O)NC3=CC=CC4=C3C(=CC=C4)N2)C(=O)OC
InChI=1SC22H21N3O4Sc13131014(22(28)292)21(3013)2518(26)111720(27)24169571264815(2317)19(12)16h4101723H311H212H3(H2427)(H2526)
methyl5ethyl2(((3oxo1234tetrahydronaphtho(18ef)(14)diazepin2yl)acetyl)amino)thiophene3carboxylate
MFCD05997108
ZINC000001049898
ZINC000001049899

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Available files

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