Vitas-M small molecule compound

2-(3-nitrophenyl)-1-[2-(piperazin-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4(1H)-thione

Catalog ID
STK732825
SMILES S=c1nc(c2cccc(c2)[N+](=O)[O-])n(c2c1CCCC2)CCN1CCNCC1

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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 C20H25N5O2S MW 399.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O2S/c26-25(27)16-5-3-4-15(14-16)19-22-20(28)17-6-1-2-7-18(17)24(19)13-12-23-10-8-21-9-11-23/h3-5,14,21H,1-2,6-13H2
InChIKey
BUULXBVPRXJLDR-UHFFFAOYSA-N
Synonyms
538338-43-1
2(3nitrophenyl)1(2(piperazin1yl)ethyl)5678tetrahydroquinazoline4(1H)thione
2(3nitrophenyl)1(2piperazin1ylethyl)5678tetrahydroquinazoline4thione
538338431
C1CCC2=C(C1)C(=S)N=C(N2CCN3CCNCC3)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC20H25N5O2Sc2625(27)1653415(1416)192220(28)17612718(17)24(19)1312231082191123h351421H12613H2
MFCD03449011
S=c1nc(c2cccc(c2)(N+)(=O)(O))n(c2c1CCCC2)CCN1CCNCC1
ZINC000000938411
ZINC938411

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Available files

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