Vitas-M small molecule compound

(2'S,3R,3'S,7a'S)-2'-[(4-bromophenyl)carbonyl]-5',6',7',7a'-tetrahydrodispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione

Catalog ID
STL527693
SMILES Brc1ccc(cc1)C(=O)[C@@H]1[C@]2(C(=O)Nc3c2cccc3)N2[C@H]([C@]31C(=O)Nc1c3cccc1)CCC2

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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 C28H22BrN3O3 MW 528.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22BrN3O3/c29-17-13-11-16(12-14-17)23(33)24-27(18-6-1-3-8-20(18)30-25(27)34)22-10-5-15-32(22)28(24)19-7-2-4-9-21(19)31-26(28)35/h1-4,6-9,11-14,22,24H,5,10,15H2,(H,30,34)(H,31,35)/t22-,24-,27+,28+/m0/s1
InChIKey
BBWUISVRDPZZLH-YRLQWRJRSA-N
Synonyms
1177718-38-5
(~(E))3(34dimethoxyphenyl)~(N)(2pyridin3ylpiperidine1carbothioyl)prop2enamide
(2S3R3S7aS)2((4bromophenyl)carbonyl)11225677aoctahydro2Hdispiro(indole31pyrrolizine33indole)22dione
(2S3R3S7aS)2((4bromophenyl)carbonyl)5677atetrahydrodispiro(indole31pyrrolizine33indole)22(1H1H)dione
(E)3(34DIMETHOXYPHENYL)N(2PYRIDIN3YLPIPERIDINE1CARBOTHIOYL)PROP2ENAMIDE
1177718385
16398347
Brc1ccc(cc1)C(=O)(C@@H)1(C@)2(C(=O)Nc3c2cccc3)N2(C@H)((C@)31C(=O)Nc1c3cccc1)CCC2
InChI=1SC22H25N3O3Sc1271910816(1420(19)282)91121(26)2422(29)251343718(25)176512231517h56812141518H34713H212H3(H242629)b119+
MFCD03661775
ZINC000070673821
ZINC70673821

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Available files

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