Vitas-M small molecule compound
(3a'S,6a'R)-5'-(1,3-benzodioxol-5-ylmethyl)-6-chloro-3'-(4-hydroxybenzyl)-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
STL533525
SMILES Oc1ccc(cc1)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)C(=O)Nc1c2ccc(c1C)Cl
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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 C29H24ClN3O6 MW 545.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClN3O6/c1-14-19(30)8-7-18-25(14)31-28(37)29(18)24-23(20(32-29)10-15-2-5-17(34)6-3-15)26(35)33(27(24)36)12-16-4-9-21-22(11-16)39-13-38-21/h2-9,11,20,23-24,32,34H,10,12-13H2,1H3,(H,31,37)/t20?,23-,24+,29?/m1/s1InChIKey
UMUAFTZLJPYUAB-YQKSCKDHSA-NSynonyms
957019-00-0(3~(a)~(R)6~(a)~(S))5(13benzodioxol5ylmethyl)6chloro1((4hydroxyphenyl)methyl)7methylspiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)5(13benzodioxol5ylmethyl)6chloro3(4hydroxybenzyl)7methyl3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5(benzo(d)(13)dioxol5ylmethyl)6chloro3(4hydroxybenzyl)7methyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16404699
957019000
InChI=1SC29H24ClN3O6c11419(30)871825(14)3128(37)29(18)2423(20(3229)10152517(34)6315)26(35)33(27(24)36)1216492122(1116)39133821h29112023243234H101213H21H3(H3137)t20?2324+29?m1s1
MFCD06767839
Oc1ccc(cc1)CC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)C(=O)Nc1c2ccc(c1C)Cl
ZINC000070700877
ZINC000070700883
Check stock
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Check stock on Vitas-MAvailable files
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