Vitas-M small molecule compound

(3a'S,6a'R)-5-chloro-5'-[2-(3,4-dimethoxyphenyl)ethyl]-3'-(propan-2-yl)-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
STK580233
SMILES COc1cc(CCN2C(=O)[C@H]3[C@@H](C2=O)C2(NC3C(C)C)C(=O)Nc3c2cc(Cl)cc3)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 C26H28ClN3O5 MW 497.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClN3O5/c1-13(2)22-20-21(26(29-22)16-12-15(27)6-7-17(16)28-25(26)33)24(32)30(23(20)31)10-9-14-5-8-18(34-3)19(11-14)35-4/h5-8,11-13,20-22,29H,9-10H2,1-4H3,(H,28,33)/t20-,21-,22?,26?/m0/s1
InChIKey
HPPFOODLIUSOOA-IVNQDJSRSA-N
Synonyms
1014065-83-8
(3aR6aS)5chloro5(2(34dimethoxyphenyl)ethyl)1propan2ylspiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5chloro5(2(34dimethoxyphenyl)ethyl)3(propan2yl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5chloro5(34dimethoxyphenethyl)3isopropyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1014065838
CC(C)C1C2C(C(=O)N(C2=O)CCC3=CC(=C(C=C3)OC)OC)C4(N1)C5=C(C=CC(=C5)Cl)NC4=O
COc1cc(CCN2C(=O)(C@H)3(C@@H)(C2=O)C2(NC3C(C)C)C(=O)Nc3c2cc(Cl)cc3)ccc1OC
InChI=1SC26H28ClN3O5c113(2)222021(26(2922)161215(27)6717(16)2825(26)33)24(32)30(23(20)31)109145818(343)19(1114)354h581113202229H910H214H3(H2833)t202122?26?m0s1
MFCD06791785
ZINC000013575019
ZINC000020566663

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Available files

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