Vitas-M small molecule compound

(3a'S,6a'R)-7-chloro-5'-(2,3-dihydro-1,4-benzodioxin-6-yl)-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
STK595019
SMILES O=C1N(c2ccc3c(c2)OCCO3)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 C30H23ClN4O5 MW 554.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23ClN4O5/c31-19-6-3-5-18-26(19)33-29(38)30(18)25-24(21(34-30)12-15-14-32-20-7-2-1-4-17(15)20)27(36)35(28(25)37)16-8-9-22-23(13-16)40-11-10-39-22/h1-9,13-14,21,24-25,32,34H,10-12H2,(H,33,38)/t21?,24-,25+,30?/m1/s1
InChIKey
UQRYPVGZWLLCCE-HYEJMQACSA-N
Synonyms
1014023-57-4
(3aR6aS)7chloro5(23dihydro14benzodioxin6yl)1(1Hindol3ylmethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)3((1Hindol3yl)methyl)7chloro5(23dihydrobenzo(b)(14)dioxin6yl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)7chloro5(23dihydro14benzodioxin6yl)3(1Hindol3ylmethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1014023574
C1COC2=C(O1)C=CC(=C2)N3C(=O)C4C(NC5(C4C3=O)C6=C(C(=CC=C6)Cl)NC5=O)CC7=CNC8=CC=CC=C87
InChI=1SC30H23ClN4O5c31196351826(19)3329(38)30(18)2524(21(3430)1215143220721417(15)20)27(36)35(28(25)37)16892223(1316)4011103922h1913142124253234H1012H2(H3338)t21?2425+30?m1s1
MFCD07641690
O=C1N(c2ccc3c(c2)OCCO3)C(=O)(C@@H)2(C@H)1C(Cc1c(nH)c3c1cccc3)NC12C(=O)Nc2c1cccc2Cl
ZINC000101391340
ZINC000101391353

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Available files

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