Vitas-M small molecule compound
5',7'-dimethyl-2'-{[4-(2-methylpropyl)phenyl]carbonyl}-1'-(thiophen-2-ylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Catalog ID
STL051749
SMILES CC(Cc1ccc(cc1)C(=O)C1C(C(=O)c2cccs2)N2C(C31C(=O)Nc1c3cccc1)C=C(c1c2ccc(c1)C)C)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 C37H34N2O3S MW 586.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H34N2O3S/c1-21(2)18-24-12-14-25(15-13-24)34(40)32-33(35(41)30-10-7-17-43-30)39-29-16-11-22(3)19-26(29)23(4)20-31(39)37(32)27-8-5-6-9-28(27)38-36(37)42/h5-17,19-21,31-33H,18H2,1-4H3,(H,38,42)InChIKey
BLSQYLSYJNHYJG-UHFFFAOYSA-NSynonyms
(1S2S3R3aR)2(4isobutylbenzoyl)57dimethyl1(thiophene2carbonyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
57dimethyl2((4(2methylpropyl)phenyl)carbonyl)1(thiophen2ylcarbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
57dimethyl2(4(2methylpropyl)benzoyl)1(thiophene2carbonyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
CC(Cc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)c2cccs2)N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=C(c1c2ccc(c1)C)C)C
CC1=CC2=C(C=C1)N3C(C=C2C)C4(C(C3C(=O)C5=CC=CS5)C(=O)C6=CC=C(C=C6)CC(C)C)C7=CC=CC=C7NC4=O
InChI=1SC37H34N2O3Sc121(2)1824121425(151324)34(40)3233(35(41)30107174330)3929161122(3)1926(29)23(4)2031(39)37(32)27856928(27)3836(37)42h51719213133H18H214H3(H3842)
MFCD05725712
ZINC000102191265
ZINC000245245193
Check stock
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Check stock on Vitas-MAvailable files
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