Vitas-M small molecule compound

1',3,3'-trimethyl-8-nitro-2'-thioxo-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H,3'H)-dione

Catalog ID
STK611537
SMILES CC1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)N(C)C(=S)N(C1=O)C

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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 C19H22N4O4S MW 402.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O4S/c1-11-6-7-22-14-5-4-13(23(26)27)9-12(14)10-19(15(22)8-11)16(24)20(2)18(28)21(3)17(19)25/h4-5,9,11,15H,6-8,10H2,1-3H3
InChIKey
KLLYTEPSLGRWKC-UHFFFAOYSA-N
Synonyms
895850-66-5
133trimethyl8nitro2sulfanylidenespiro(12344a6hexahydrobenzo(c)quinolizine5513diazinane)46dione
133trimethyl8nitro2thioxo1223344a6octahydro1Hspiro(pyrido(12a)quinoline55pyrimidine)46dione
133trimethyl8nitro2thioxo2344atetrahydro1H2H6Hspiro(pyrido(12a)quinoline55pyrimidine)46(1H3H)dione
895850665
CC1CCN2C(C1)C1(Cc3c2ccc(c3)(N+)(=O)(O))C(=O)N(C)C(=S)N(C1=O)C
CC1CCN2C(C1)C3(CC4=C2C=CC(=C4)(N+)(=O)(O))C(=O)N(C(=S)N(C3=O)C)C
InChI=1SC19H22N4O4Sc1116722145413(23(26)27)912(14)1019(15(22)811)16(24)20(2)18(28)21(3)17(19)25h4591115H6810H213H3
MFCD08286534
ZINC000006669701
ZINC000245255676

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Available files

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