Vitas-M small molecule compound
(3a'S,6a'R)-5'-(1,3-benzodioxol-5-ylmethyl)-5-chloro-3'-(1H-indol-3-ylmethyl)-7-methyl-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
STL530666
SMILES Clc1cc(C)c2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)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 C31H25ClN4O5 MW 569.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25ClN4O5/c1-15-8-18(32)11-20-27(15)34-30(39)31(20)26-25(22(35-31)10-17-12-33-21-5-3-2-4-19(17)21)28(37)36(29(26)38)13-16-6-7-23-24(9-16)41-14-40-23/h2-9,11-12,22,25-26,33,35H,10,13-14H2,1H3,(H,34,39)/t22?,25-,26+,31?/m1/s1InChIKey
DXBFPRWETVBCRR-IXVHICNASA-NSynonyms
956947-15-2(3~(a)~(R)6~(a)~(S))5(13benzodioxol5ylmethyl)5chloro1(1~(H)indol3ylmethyl)7methylspiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)3((1Hindol3yl)methyl)5(benzo(d)(13)dioxol5ylmethyl)5chloro7methyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5(13benzodioxol5ylmethyl)5chloro3(1Hindol3ylmethyl)7methyl3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
16406035
956947152
Clc1cc(C)c2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)Cc1c(nH)c3c1cccc3)C(=O)N2
InChI=1SC31H25ClN4O5c115818(32)112027(15)3430(39)31(20)2625(22(3531)1017123321532419(17)21)28(37)36(29(26)38)1316672324(916)41144023h2911122225263335H101314H21H3(H3439)t22?2526+31?m1s1
MFCD07637392
ZINC000070706689
ZINC000070706698
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