Vitas-M small molecule compound

(3a'S,6a'R)-5-chloro-3'-(4-hydroxybenzyl)-7-methyl-5'-(2-phenylethyl)-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
STL530942
SMILES Clc1cc(C)c2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)CCc1ccccc1)Cc1ccc(cc1)O)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 C29H26ClN3O4 MW 516.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN3O4/c1-16-13-19(30)15-21-25(16)31-28(37)29(21)24-23(22(32-29)14-18-7-9-20(34)10-8-18)26(35)33(27(24)36)12-11-17-5-3-2-4-6-17/h2-10,13,15,22-24,32,34H,11-12,14H2,1H3,(H,31,37)/t22?,23-,24+,29?/m1/s1
InChIKey
IFSPPVVNRZZSCT-WRWAZOQGSA-N
Synonyms
957033-50-0
(3~(a)~(R)6~(a)~(S))5chloro1((4hydroxyphenyl)methyl)7methyl5(2phenylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)5chloro3(4hydroxybenzyl)7methyl5(2phenylethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5chloro3(4hydroxybenzyl)7methyl5phenethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16404830
957033500
Clc1cc(C)c2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)CCc1ccccc1)Cc1ccc(cc1)O)C(=O)N2
InChI=1SC29H26ClN3O4c1161319(30)152125(16)3128(37)29(21)2423(22(3229)14187920(34)10818)26(35)33(27(24)36)1211175324617h210131522243234H111214H21H3(H3137)t22?2324+29?m1s1
MFCD06768197
ZINC000015969144
ZINC000015969150

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Available files

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