Vitas-M small molecule compound

(1'S,3R,3'S,7a'S)-6'',7''-dimethyl-1'-{[4-(propan-2-yloxy)phenyl]carbonyl}-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione

Catalog ID
STL530657
SMILES CC(Oc1ccc(cc1)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2ccc(c1C)C)C

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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 C33H33N3O4 MW 535.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O4/c1-18(2)40-22-14-12-21(13-15-22)29(37)27-26-10-7-17-36(26)33(24-16-11-19(3)20(4)28(24)35-31(33)39)32(27)23-8-5-6-9-25(23)34-30(32)38/h5-6,8-9,11-16,18,26-27H,7,10,17H2,1-4H3,(H,34,38)(H,35,39)/t26-,27-,32+,33+/m0/s1
InChIKey
PZJDKLQOLQQWQS-MRPYTORDSA-N
Synonyms
957000-09-8
(1S3R3S7aS)67dimethyl1((4(propan2yloxy)phenyl)carbonyl)11225677aoctahydro1Hdispiro(indole32pyrrolizine33indole)22dione
(1S3R3S7aS)67dimethyl1((4(propan2yloxy)phenyl)carbonyl)5677atetrahydro1Hdispiro(indole32pyrrolizine33indole)22(1H1H)dione
~(N)((2~(S))1(2(1~(H)indol3yl)ethylamino)4methylsulfanyl1oxobutan2yl)1(4methylphenyl)sulfonylpiperidine4carboxamide
16404468
957000098
CC(Oc1ccc(cc1)C(=O)(C@@H)1(C@@H)2CCCN2(C@@)2((C@)31C(=O)Nc1c3cccc1)C(=O)Nc1c2ccc(c1C)C)C
InChI=1SC28H36N4O4S2c1207923(10820)38(3536)32161221(131732)27(33)3126(1418372)28(34)29151122193025643524(22)25h31019212630H1118H212H3(H2934)(H3133)t26m0s1
MFCD06767178
ZINC000070700615
ZINC70700615

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Available files

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