Vitas-M small molecule compound
1-cyclopropyl-1'-ethyl-6'-nitro-2'-phenyl-2-thioxo-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H,3H)-dione
Catalog ID
STK236370
SMILES CCN1c2ccc(cc2CC2(C1c1ccccc1)C(=O)NC(=S)N(C2=O)C1CC1)[N+](=O)[O-]
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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 C23H22N4O4S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S/c1-2-25-18-11-10-17(27(30)31)12-15(18)13-23(19(25)14-6-4-3-5-7-14)20(28)24-22(32)26(21(23)29)16-8-9-16/h3-7,10-12,16,19H,2,8-9,13H2,1H3,(H,24,28,32)InChIKey
CVEMJILOHWSCIO-UHFFFAOYSA-NSynonyms
1cyclopropyl1ethyl6nitro2phenyl2sulfanylidenespiro(13diazinane5324dihydroquinoline)46dione
1cyclopropyl1ethyl6nitro2phenyl2thioxo14dihydro2H2Hspiro(pyrimidine53quinoline)46(1H3H)dione
CCN1C(C2(CC3=C1C=CC(=C3)(N+)(=O)(O))C(=O)NC(=S)N(C2=O)C4CC4)C5=CC=CC=C5
CCN1c2ccc(cc2CC2(C1c1ccccc1)C(=O)NC(=S)N(C2=O)C1CC1)(N+)(=O)(O)
InChI=1SC23H22N4O4Sc122518111017(27(30)31)1215(18)1323(19(25)146435714)20(28)2422(32)26(21(23)29)168916h3710121619H28913H21H3(H242832)
MFCD08685364
ZINC000009190197
ZINC000249683494
Check stock
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