Vitas-M small molecule compound

(1'S,3R,3'S,7a'S)-5'',7''-dimethyl-1'-[(3-propoxyphenyl)carbonyl]-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione

Catalog ID
STL532598
SMILES CCCOc1cccc(c1)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(C)cc1C

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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/c1-4-15-40-22-10-7-9-21(18-22)29(37)27-26-13-8-14-36(26)33(24-17-19(2)16-20(3)28(24)35-31(33)39)32(27)23-11-5-6-12-25(23)34-30(32)38/h5-7,9-12,16-18,26-27H,4,8,13-15H2,1-3H3,(H,34,38)(H,35,39)/t26-,27-,32+,33+/m0/s1
InChIKey
GQKLNWUFARWHSN-MRPYTORDSA-N
Synonyms
956998-89-3
(1S3R3S7aS)57dimethyl1((3propoxyphenyl)carbonyl)11225677aoctahydro1Hdispiro(indole32pyrrolizine33indole)22dione
(1S3R3S7aS)57dimethyl1((3propoxyphenyl)carbonyl)5677atetrahydro1Hdispiro(indole32pyrrolizine33indole)22(1H1H)dione
(2~(R))2(6((10~(a)~(S))13dioxo1010~(a)dihydro5~(H)imidazo(15b)isoquinolin2yl)hexanoylamino)pentanedioicacid
16403844
956998893
CCCOc1cccc(c1)C(=O)(C@@H)1(C@@H)2CCCN2(C@@)2((C@)31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(C)cc1C
InChI=1SC22H27N3O7c2618(2316(21(30)31)91019(27)28)8215112420(29)171214634715(14)1325(17)22(24)32h34671617H125813H2(H2326)(H2728)(H3031)t1617+m1s1
MFCD06765414
ZINC000070699495
ZINC70699495

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Available files

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