Vitas-M small molecule compound

diphenylmethyl (1'R,2'S,3R)-2-oxo-1'-(phenylcarbonyl)-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-2'-carboxylate

Catalog ID
STK541939
SMILES O=C([C@@H]1N2c3ccccc3C=CC2[C@]2([C@@H]1C(=O)OC(c1ccccc1)c1ccccc1)C(=O)Nc1c2cccc1)c1ccccc1

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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 C40H30N2O4 MW 602.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H30N2O4/c43-36(27-15-4-1-5-16-27)35-34(38(44)46-37(28-17-6-2-7-18-28)29-19-8-3-9-20-29)40(30-21-11-12-22-31(30)41-39(40)45)33-25-24-26-14-10-13-23-32(26)42(33)35/h1-25,33-35,37H,(H,41,45)/t33?,34-,35+,40+/m0/s1
InChIKey
MDJCLLFNQWSQHV-IYWDSIDNSA-N
Synonyms

(1R2S3R)benzhydryl1benzoyl2oxo23adihydro1Hspiro(indoline33pyrrolo(12a)quinoline)2carboxylate
benzhydryl(1R2S3R)1benzoyl2oxospiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2carboxylate
C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3C(N4C(C35C6=CC=CC=C6NC5=O)C=CC7=CC=CC=C74)C(=O)C8=CC=CC=C8
diphenylmethyl(1R2S3R)2oxo1(phenylcarbonyl)1122tetrahydro3aHspiro(indole33pyrrolo(12a)quinoline)2carboxylate
InChI=1SC40H30N2O4c4336(27154151627)3534(38(44)4637(28176271828)29198392029)40(302111122231(30)4139(40)45)332524261410132332(26)42(33)35h125333537H(H4145)t33?3435+40+m0s1
MFCD18241945
O=C((C@@H)1N2c3ccccc3C=CC2(C@)2((C@@H)1C(=O)OC(c1ccccc1)c1ccccc1)C(=O)Nc1c2cccc1)c1ccccc1
ZINC000102431345
ZINC000102431349

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Available files

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