Vitas-M small molecule compound
(13aS)-5-phenyl-2,3,4,4a,5,6-hexahydro-1H,3'H,13H-spiro[benzimidazo[2,1-j]quinoline-7,1'-[2]benzofuran]-3'-one
Catalog ID
STL524912
SMILES O=C1OC2(c3c1cccc3)CC(c1ccccc1)C1[C@@]3(N2c2ccccc2N3)CCCC1
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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 C28H26N2O2 MW 422.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O2/c31-26-20-12-4-5-14-23(20)28(32-26)18-21(19-10-2-1-3-11-19)22-13-8-9-17-27(22)29-24-15-6-7-16-25(24)30(27)28/h1-7,10-12,14-16,21-22,29H,8-9,13,17-18H2/t21?,22?,27-,28?/m0/s1InChIKey
JQKXIOGQANFJIF-HDTPTZFISA-NSynonyms
1217600-42-4(1~(S))7phenylspiro(1017diazatetracyclo(8700^(16)0^(1116))heptadeca111315triene932benzofuran)1one
(13aS)5phenyl12344a5613octahydro3Hspiro(benzo(45)imidazo(21j)quinoline71isobenzofuran)3one
(13aS)5phenyl2344a56hexahydro1H3H13Hspiro(benzimidazo(21j)quinoline71(2)benzofuran)3one
1217600424
16395543
InChI=1SC28H26N2O2c31262012451423(20)28(3226)1821(19102131119)2213891727(22)292415671625(24)30(27)28h1710121416212229H89131718H2t21?22?2728?m0s1
MFCD01881717
O=C1OC2(c3c1cccc3)CC(c1ccccc1)C1(C@@)3(N2c2ccccc2N3)CCCC1
ZINC000001763440
ZINC000012655091
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