Vitas-M small molecule compound

(3a'S,6a'R)-7-chloro-5'-[2-(3,4-dimethoxyphenyl)ethyl]-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
STL530381
SMILES COc1cc(CCN2C(=O)[C@H]3[C@@H](C2=O)C2(NC3Cc3c[nH]c4c3cccc4)C(=O)Nc3c2cccc3Cl)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 C32H29ClN4O5 MW 585.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29ClN4O5/c1-41-24-11-10-17(14-25(24)42-2)12-13-37-29(38)26-23(15-18-16-34-22-9-4-3-6-19(18)22)36-32(27(26)30(37)39)20-7-5-8-21(33)28(20)35-31(32)40/h3-11,14,16,23,26-27,34,36H,12-13,15H2,1-2H3,(H,35,40)/t23?,26-,27+,32?/m1/s1
InChIKey
ZOTNKMUIYSXUSK-GFVZCSRUSA-N
Synonyms
957030-48-7
(3~(a)~(R)6~(a)~(S))7chloro5(2(34dimethoxyphenyl)ethyl)1(1~(H)indol3ylmethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)3((1Hindol3yl)methyl)7chloro5(34dimethoxyphenethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)7chloro5(2(34dimethoxyphenyl)ethyl)3(1Hindol3ylmethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
16405440
957030487
COc1cc(CCN2C(=O)(C@H)3(C@@H)(C2=O)C2(NC3Cc3c(nH)c4c3cccc4)C(=O)Nc3c2cccc3Cl)ccc1OC
InChI=1SC32H29ClN4O5c14124111017(1425(24)422)12133729(38)2623(1518163422943619(18)22)3632(27(26)30(37)39)2075821(33)28(20)3531(32)40h31114162326273436H121315H212H3(H3540)t23?2627+32?m1s1
MFCD07636961
ZINC000070704586
ZINC000070704600

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Available files

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