Vitas-M small molecule compound

ethyl 1-{[(3-butyl-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}piperidine-4-carboxylate

Catalog ID
STL093716
SMILES CCCCn1c(SCC(=O)N2CCC(CC2)C(=O)OCC)nc2c(c1=O)[nH]c(c2)C

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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 C21H30N4O4S MW 434.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N4O4S/c1-4-6-9-25-19(27)18-16(12-14(3)22-18)23-21(25)30-13-17(26)24-10-7-15(8-11-24)20(28)29-5-2/h12,15,22H,4-11,13H2,1-3H3
InChIKey
ZKGSQDWCNCXHDN-UHFFFAOYSA-N
Synonyms

CCCCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)N3CCC(CC3)C(=O)OCC
CCCCn1c(SCC(=O)N2CCC(CC2)C(=O)OCC)nc2c(c1=O)(nH)c(c2)C
ethyl1(((3butyl6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)piperidine4carboxylate
ethyl1(2((3butyl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)piperidine4carboxylate
InChI=1SC21H30N4O4Sc14692519(27)1816(1214(3)2218)2321(25)301317(26)2410715(81124)20(28)2952h121522H41113H213H3
MFCD18787850
ZINC000067238521
ZINC67238521

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Available files

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