Vitas-M small molecule compound
(3a'S,6a'R)-5'-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-ethyl-3'-(1H-indol-3-ylmethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Catalog ID
STK583163
SMILES CCc1cccc2c1NC(=O)C12NC([C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)Cc1c[nH]c2c1cccc2
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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 C32H28N4O5 MW 548.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N4O5/c1-2-17-6-5-8-21-28(17)34-31(39)32(21)27-26(23(35-32)14-18-16-33-22-9-4-3-7-20(18)22)29(37)36(30(27)38)19-10-11-24-25(15-19)41-13-12-40-24/h3-11,15-16,23,26-27,33,35H,2,12-14H2,1H3,(H,34,39)/t23?,26-,27+,32?/m1/s1InChIKey
UUTVXPBLASTPMZ-GFVZCSRUSA-NSynonyms
1014041-95-2(3aR6aS)5(23dihydro14benzodioxin6yl)7ethyl1(1Hindol3ylmethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)3((1Hindol3yl)methyl)5(23dihydrobenzo(b)(14)dioxin6yl)7ethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5(23dihydro14benzodioxin6yl)7ethyl3(1Hindol3ylmethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1014041952
CCC1=CC=CC2=C1NC(=O)C23C4C(C(N3)CC5=CNC6=CC=CC=C65)C(=O)N(C4=O)C7=CC8=C(C=C7)OCCO8
CCc1cccc2c1NC(=O)C12NC((C@@H)2(C@H)1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)Cc1c(nH)c2c1cccc2
InChI=1SC32H28N4O5c12176582128(17)3431(39)32(21)2726(23(3532)1418163322943720(18)22)29(37)36(30(27)38)1910112425(1519)4113124024h31115162326273335H21214H21H3(H3439)t23?2627+32?m1s1
MFCD07641716
ZINC000101391477
ZINC000101391494
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