Vitas-M small molecule compound

1'-ethyl-2'-methyl-6'-nitro-1,3-diphenyl-2-thioxo-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H,3H)-dione

Catalog ID
STK597109
SMILES CCN1c2ccc(cc2CC2(C1C)C(=O)N(c1ccccc1)C(=S)N(C2=O)c1ccccc1)[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 C27H24N4O4S MW 500.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O4S/c1-3-28-18(2)27(17-19-16-22(31(34)35)14-15-23(19)28)24(32)29(20-10-6-4-7-11-20)26(36)30(25(27)33)21-12-8-5-9-13-21/h4-16,18H,3,17H2,1-2H3
InChIKey
MANCQGYKGYXUAI-UHFFFAOYSA-N
Synonyms
879457-56-4
1ethyl2methyl6nitro13diphenyl2sulfanylidenespiro(13diazinane5324dihydroquinoline)46dione
1ethyl2methyl6nitro13diphenyl2thioxo14dihydro2H2Hspiro(pyrimidine53quinoline)46(1H3H)dione
1ethyl2methyl6nitro13diphenyl2thioxo2234tetrahydro1H1Hspiro(pyrimidine53quinoline)46dione
879457564
CCN1C(C2(CC3=C1C=CC(=C3)(N+)(=O)(O))C(=O)N(C(=S)N(C2=O)C4=CC=CC=C4)C5=CC=CC=C5)C
CCN1c2ccc(cc2CC2(C1C)C(=O)N(c1ccccc1)C(=S)N(C2=O)c1ccccc1)(N+)(=O)(O)
InChI=1SC27H24N4O4Sc132818(2)27(17191622(31(34)35)141523(19)28)24(32)29(20106471120)26(36)30(25(27)33)21128591321h41618H317H212H3
MFCD06613762
ZINC000009111437
ZINC000009111438

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Available files

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