Vitas-M small molecule compound

(3S,3'R,3a'R,6a'S)-3'-[(4-chlorophenyl)(hydroxy)methyl]-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
STK579799
SMILES COc1cc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@]2(N[C@H]3[C@@H](c3ccc(cc3)Cl)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 C30H28ClN3O6 MW 562.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28ClN3O6/c1-39-21-12-7-16(15-22(21)40-2)13-14-34-27(36)23-24(28(34)37)30(19-5-3-4-6-20(19)32-29(30)38)33-25(23)26(35)17-8-10-18(31)11-9-17/h3-12,15,23-26,33,35H,13-14H2,1-2H3,(H,32,38)/t23-,24-,25-,26-,30-/m1/s1
InChIKey
WTUMFIBVVMVIOG-XCTNGXHESA-N
Synonyms
1014065-47-4
(1R3S3aS6aR)1((R)(4chlorophenyl)hydroxymethyl)5(2(34dimethoxyphenyl)ethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(1S3R3aR6aS)3((R)(4chlorophenyl)(hydroxy)methyl)5(34dimethoxyphenethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3S3R3aR6aS)3((4chlorophenyl)(hydroxy)methyl)5(2(34dimethoxyphenyl)ethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1014065474
COC1=C(C=C(C=C1)CCN2C(=O)C3C(C2=O)C4(C5=CC=CC=C5NC4=O)NC3C(C6=CC=C(C=C6)Cl)O)OC
COc1cc(CCN2C(=O)(C@@H)3(C@H)(C2=O)(C@@)2(N(C@H)3(C@@H)(c3ccc(cc3)Cl)O)C(=O)Nc3c2cccc3)ccc1OC
InChI=1SC30H28ClN3O6c1392112716(1522(21)402)13143427(36)2324(28(34)37)30(19534620(19)3229(30)38)3325(23)26(35)1781018(31)11917h3121523263335H1314H212H3(H3238)t2324252630m1s1
MFCD08284664
ZINC000101392476
ZINC101392476

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Available files

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