Vitas-M small molecule compound

(3a'S,6a'R)-3'-(3,4-dihydroxybenzyl)-5'-[2-(3,4-dimethoxyphenyl)ethyl]-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
STL532864
SMILES COc1cc(CCN2C(=O)[C@H]3[C@@H](C2=O)C2(NC3Cc3ccc(c(c3)O)O)C(=O)Nc3c2cccc3)ccc1OC

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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 C30H29N3O7 MW 543.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O7/c1-39-23-10-8-16(15-24(23)40-2)11-12-33-27(36)25-20(13-17-7-9-21(34)22(35)14-17)32-30(26(25)28(33)37)18-5-3-4-6-19(18)31-29(30)38/h3-10,14-15,20,25-26,32,34-35H,11-13H2,1-2H3,(H,31,38)/t20?,25-,26+,30?/m1/s1
InChIKey
NSBJYESNYOZQSK-MMTSKOGQSA-N
Synonyms
956827-59-1
(3~(a)~(R)6~(a)~(S))1((34dihydroxyphenyl)methyl)5(2(34dimethoxyphenyl)ethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)3(34dihydroxybenzyl)5(2(34dimethoxyphenyl)ethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)3(34dihydroxybenzyl)5(34dimethoxyphenethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16405174
956827591
COc1cc(CCN2C(=O)(C@H)3(C@@H)(C2=O)C2(NC3Cc3ccc(c(c3)O)O)C(=O)Nc3c2cccc3)ccc1OC
InChI=1SC30H29N3O7c1392310816(1524(23)402)11123327(36)2520(13177921(34)22(35)1417)3230(26(25)28(33)37)18534619(18)3129(30)38h3101415202526323435H1113H212H3(H3138)t20?2526+30?m1s1
MFCD06769266
ZINC000070701463
ZINC000070701469

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Available files

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