Vitas-M small molecule compound

ethyl 1-({8-[(4-chlorobenzyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetyl)piperidine-4-carboxylate

Catalog ID
STL105692
SMILES CCOC(=O)C1CCN(CC1)C(=O)Cn1nc2n(c1=O)ccnc2SCc1ccc(cc1)Cl

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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 C22H24ClN5O4S MW 489.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN5O4S/c1-2-32-21(30)16-7-10-26(11-8-16)18(29)13-28-22(31)27-12-9-24-20(19(27)25-28)33-14-15-3-5-17(23)6-4-15/h3-6,9,12,16H,2,7-8,10-11,13-14H2,1H3
InChIKey
AARQVUQJPODPPZ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1CCN(CC1)C(=O)CN2C(=O)N3C=CN=C(C3=N2)SCC4=CC=C(C=C4)Cl
ethyl1((8((4chlorobenzyl)sulfanyl)3oxo(124)triazolo(43a)pyrazin2(3H)yl)acetyl)piperidine4carboxylate
ethyl1(2(8((4chlorophenyl)methylsulfanyl)3oxo(124)triazolo(43a)pyrazin2yl)acetyl)piperidine4carboxylate
InChI=1SC22H24ClN5O4Sc123221(30)1671026(11816)18(29)132822(31)271292420(19(27)2528)3314153517(23)6415h3691216H27810111314H21H3
MFCD20736883
ZINC000067255438
ZINC67255438

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Available files

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