Vitas-M small molecule compound
(3a'S,6a'R)-5'-(1,3-benzodioxol-5-yl)-7-chloro-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
STK574567
SMILES O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1C(Cc1c[nH]c3c1cccc3)NC12C(=O)Nc2c1cccc2Cl
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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 C29H21ClN4O5 MW 540.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN4O5/c30-18-6-3-5-17-25(18)32-28(37)29(17)24-23(20(33-29)10-14-12-31-19-7-2-1-4-16(14)19)26(35)34(27(24)36)15-8-9-21-22(11-15)39-13-38-21/h1-9,11-12,20,23-24,31,33H,10,13H2,(H,32,37)/t20?,23-,24+,29?/m1/s1InChIKey
RGTCLZAHQBUAES-YQKSCKDHSA-NSynonyms
1013755-30-0(3aR6aS)5(13benzodioxol5yl)7chloro1(1Hindol3ylmethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)3((1Hindol3yl)methyl)5(benzo(d)(13)dioxol5yl)7chloro33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5(13benzodioxol5yl)7chloro3(1Hindol3ylmethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1013755300
C1OC2=C(O1)C=C(C=C2)N3C(=O)C4C(NC5(C4C3=O)C6=C(C(=CC=C6)Cl)NC5=O)CC7=CNC8=CC=CC=C87
InChI=1SC29H21ClN4O5c30186351725(18)3228(37)29(17)2423(20(3329)1014123119721416(14)19)26(35)34(27(24)36)15892122(1115)39133821h1911122023243133H1013H2(H3237)t20?2324+29?m1s1
MFCD07641183
O=C1N(c2ccc3c(c2)OCO3)C(=O)(C@@H)2(C@H)1C(Cc1c(nH)c3c1cccc3)NC12C(=O)Nc2c1cccc2Cl
ZINC000101388924
ZINC000101388940
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