Vitas-M small molecule compound
(3a'S,6a'R)-5'-(2,3-dihydro-1,4-benzodioxin-6-yl)-3'-(1H-indol-3-ylmethyl)-5,7-dimethyl-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
STK584338
SMILES Cc1cc(C)c2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)Cc1c[nH]c3c1cccc3)C(=O)N2
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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/c1-16-11-17(2)28-21(12-16)32(31(39)34-28)27-26(23(35-32)13-18-15-33-22-6-4-3-5-20(18)22)29(37)36(30(27)38)19-7-8-24-25(14-19)41-10-9-40-24/h3-8,11-12,14-15,23,26-27,33,35H,9-10,13H2,1-2H3,(H,34,39)/t23?,26-,27+,32?/m1/s1InChIKey
ZWVPDEQZRALXNA-GFVZCSRUSA-NSynonyms
1014043-16-3(3aR6aS)5(23dihydro14benzodioxin6yl)1(1Hindol3ylmethyl)57dimethylspiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)3((1Hindol3yl)methyl)5(23dihydrobenzo(b)(14)dioxin6yl)57dimethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5(23dihydro14benzodioxin6yl)3(1Hindol3ylmethyl)57dimethyl3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1014043163
CC1=CC(=C2C(=C1)C3(C4C(C(N3)CC5=CNC6=CC=CC=C65)C(=O)N(C4=O)C7=CC8=C(C=C7)OCCO8)C(=O)N2)C
Cc1cc(C)c2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)Cc1c(nH)c3c1cccc3)C(=O)N2
InChI=1SC32H28N4O5c1161117(2)2821(1216)32(31(39)3428)2726(23(3532)1318153322643520(18)22)29(37)36(30(27)38)19782425(1419)411094024h38111214152326273335H91013H212H3(H3439)t23?2627+32?m1s1
MFCD07640926
ZINC000101387447
ZINC000101387460
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