Vitas-M small molecule compound

5-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK663548
SMILES Clc1ccc(cc1)c1nn(c(=S)n1c1ccccc1)CN1CCC2(CC1)OCCO2

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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 C22H23ClN4O2S MW 442.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN4O2S/c23-18-8-6-17(7-9-18)20-24-26(21(30)27(20)19-4-2-1-3-5-19)16-25-12-10-22(11-13-25)28-14-15-29-22/h1-9H,10-16H2
InChIKey
BITRTEQMOLSCLS-UHFFFAOYSA-N
Synonyms

5(4chlorophenyl)2(14dioxa8azaspiro(45)dec8ylmethyl)4phenyl24dihydro3H124triazole3thione
5(4CHLOROPHENYL)2(14DIOXA8AZASPIRO(45)DECAN8YLMETHYL)4PHENYL124TRIAZOLE3THIONE
C1CN(CCC12OCCO2)CN3C(=S)N(C(=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
InChI=1SC22H23ClN4O2Sc23188617(7918)202426(21(30)27(20)194213519)1625121022(111325)2814152922h19H1016H2
MFCD01797314
ZINC000000784069
ZINC784069

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Available files

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