Vitas-M small molecule compound

(1'S,2'S,3R,3a'R)-5'-methyl-2'-[(3-nitrophenyl)carbonyl]-1'-(thiophen-2-ylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

Catalog ID
STK570130
SMILES O=C([C@H]1N2c3ccccc3C(=C[C@@H]2[C@]2([C@@H]1C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1c2cccc1)C)c1cccs1

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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 C32H23N3O5S MW 561.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H23N3O5S/c1-18-16-26-32(22-11-3-4-12-23(22)33-31(32)38)27(29(36)19-8-6-9-20(17-19)35(39)40)28(30(37)25-14-7-15-41-25)34(26)24-13-5-2-10-21(18)24/h2-17,26-28H,1H3,(H,33,38)/t26-,27+,28+,32-/m1/s1
InChIKey
PPCVFMUUBPASDY-QODLHPCFSA-N
Synonyms

(1S2S3R3aR)5methyl2((3nitrophenyl)carbonyl)1(thiophen2ylcarbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)5methyl2(3nitrobenzoyl)1(thiophene2carbonyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
(1S2S3R3aR)5methyl2(3nitrobenzoyl)1(thiophene2carbonyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
CC1=CC2C3(C(C(N2C4=CC=CC=C14)C(=O)C5=CC=CS5)C(=O)C6=CC(=CC=C6)(N+)(=O)(O))C7=CC=CC=C7NC3=O
InChI=1SC32H23N3O5Sc118162632(2211341223(22)3331(32)38)27(29(36)1986920(1719)35(39)40)28(30(37)25147154125)34(26)2413521021(18)24h2172628H1H3(H3338)t2627+28+32m1s1
MFCD18157968
O=C((C@H)1N2c3ccccc3C(=C(C@@H)2(C@)2((C@@H)1C(=O)c1cccc(c1)(N+)(=O)(O))C(=O)Nc1c2cccc1)C)c1cccs1
ZINC000102560667
ZINC102560667

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Available files

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