Vitas-M small molecule compound

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

Catalog ID
STK663550
SMILES Clc1ccc(cc1)c1nn(c(=S)n1Cc1ccccc1)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 C23H25ClN4O2S MW 457.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN4O2S/c24-20-8-6-19(7-9-20)21-25-28(22(31)27(21)16-18-4-2-1-3-5-18)17-26-12-10-23(11-13-26)29-14-15-30-23/h1-9H,10-17H2
InChIKey
NVGBGTRJMCTIJH-UHFFFAOYSA-N
Synonyms
346596-83-6
1((14DIOXA8AZASPIRO(45)DEC8YL)METHYL)3(4CHLOROPHENYL)4BENZYL124TRIAZOLINE5THIONE
346596836
4benzyl5(4chlorophenyl)2(14dioxa8azaspiro(45)dec8ylmethyl)24dihydro3H124triazole3thione
4BENZYL5(4CHLOROPHENYL)2(14DIOXA8AZASPIRO(45)DECAN8YLMETHYL)124TRIAZOLE3THIONE
C1CN(CCC12OCCO2)CN3C(=S)N(C(=N3)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5
InChI=1SC23H25ClN4O2Sc24208619(7920)212528(22(31)27(21)16184213518)1726121023(111326)2914153023h19H1017H2
MFCD01797335
ZINC000008873412
ZINC8873412

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Available files

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