Vitas-M small molecule compound

methyl {3-[(Z)-(1-cyclopentyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-indol-1-yl}acetate

Catalog ID
STK202566
SMILES COC(=O)Cn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)C1CCCC1

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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 C21H21N3O5 MW 395.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5/c1-29-18(25)12-23-11-13(15-8-4-5-9-17(15)23)10-16-19(26)22-21(28)24(20(16)27)14-6-2-3-7-14/h4-5,8-11,14H,2-3,6-7,12H2,1H3,(H,22,26,28)/b16-10-
InChIKey
NQNRDFFDLHDUGQ-YBEGLDIGSA-N
Synonyms

COC(=O)CN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=O)N(C3=O)C4CCCC4
COC(=O)Cn1cc(c2c1cccc2)C=C1C(=O)NC(=O)N(C1=O)C1CCCC1
InChI=1SC21H21N3O5c12918(25)12231113(15845917(15)23)101619(26)2221(28)24(20(16)27)14623714h4581114H236712H21H3(H222628)b1610
METHYL(3((Z)(1CYCLOPENTYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)ACETATE
METHYL2(3((Z)(1CYCLOPENTYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)INDOL1YL)ACETATE
MFCD06666718
ZINC000004740077
ZINC04740077
ZINC4740077

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Available files

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