Vitas-M small molecule compound
N-{[2-(cyclohex-1-en-1-yl)ethyl](4-hydroxybutyl)carbamothioyl}-3-nitrobenzamide
Catalog ID
STK324202
SMILES OCCCCN(C(=S)NC(=O)c1cccc(c1)[N+](=O)[O-])CCC1=CCCCC1
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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 C20H27N3O4S MW 405.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O4S/c24-14-5-4-12-22(13-11-16-7-2-1-3-8-16)20(28)21-19(25)17-9-6-10-18(15-17)23(26)27/h6-7,9-10,15,24H,1-5,8,11-14H2,(H,21,25,28)InChIKey
RGZQBLMSYDMMBO-UHFFFAOYSA-NSynonyms
C1CCC(=CC1)CCN(CCCCO)C(=S)NC(=O)C2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC20H27N3O4Sc2414541222(1311167213816)20(28)2119(25)17961018(1517)23(26)27h679101524H1581114H2(H212528)
MFCD05053976
N((2(cyclohex1en1yl)ethyl)(4hydroxybutyl)carbamothioyl)3nitrobenzamide
N(2(CYCLOHEXEN1YL)ETHYL(4HYDROXYBUTYL)CARBAMOTHIOYL)3NITROBENZAMIDE
OCCCCN(C(=S)NC(=O)c1cccc(c1)(N+)(=O)(O))CCC1=CCCCC1
ZINC000002879522
ZINC02879522
ZINC2879522
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