Vitas-M small molecule compound

(1'R,2'R)-2'-(3-nitrophenyl)-1'-(thiophen-2-ylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione

Catalog ID
STL042734
SMILES O=C([C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)c1c(C2=O)cccc1)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 C31H20N2O5S MW 532.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H20N2O5S/c34-28(24-13-6-16-39-24)27-26(19-8-5-9-20(17-19)33(37)38)31(29(35)21-10-2-3-11-22(21)30(31)36)25-15-14-18-7-1-4-12-23(18)32(25)27/h1-17,25-27H/t25?,26-,27+/m0/s1
InChIKey
ALKCBOZHPNARDT-GDRMZMBQSA-N
Synonyms
1216947-64-6
(1R2R)2(3nitrophenyl)1(thiophen2ylcarbonyl)12dihydro3aHspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R)2(3nitrophenyl)1(thiophene2carbonyl)23adihydro1Hspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R)2(3nitrophenyl)1(thiophene2carbonyl)spiro(23adihydro1Hpyrrolo(12a)quinoline32indene)13dione
1216947646
C1=CC=C2C(=C1)C=CC3N2C(C(C34C(=O)C5=CC=CC=C5C4=O)C6=CC(=CC=C6)(N+)(=O)(O))C(=O)C7=CC=CS7
InChI=1SC31H20N2O5Sc3428(24136163924)2726(1985920(1719)33(37)38)31(29(35)2110231122(21)30(31)36)251514187141223(18)32(25)27h1172527Ht25?2627+m0s1
O=C((C@@H)1N2c3ccccc3C=CC2(C@@)2((C@H)1c1cccc(c1)(N+)(=O)(O))C(=O)c1c(C2=O)cccc1)c1cccs1
O=C((C@@H)1N2c3ccccc3C=CC2C2((C@H)1c1cccc(c1)(N+)(=O)(O))C(=O)c1c(C2=O)cccc1)c1cccs1
ZINC000100969883
ZINC000100969885

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Available files

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