Vitas-M small molecule compound

(1'S,3R,3'S,7a'S)-5''-ethyl-1'-{[3-(prop-2-en-1-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
STL532476
SMILES C=CCOc1cccc(c1)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(CC)cc1

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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 C33H31N3O4 MW 533.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N3O4/c1-3-17-40-22-10-7-9-21(19-22)29(37)28-27-13-8-16-36(27)33(24-18-20(4-2)14-15-26(24)35-31(33)39)32(28)23-11-5-6-12-25(23)34-30(32)38/h3,5-7,9-12,14-15,18-19,27-28H,1,4,8,13,16-17H2,2H3,(H,34,38)(H,35,39)/t27-,28-,32+,33+/m0/s1
InChIKey
TXAGLVXTQFTYFW-RQGZQSEYSA-N
Synonyms
956975-44-3
(1S3R3S7aS)5ethyl1((3(prop2en1yloxy)phenyl)carbonyl)11225677aoctahydro1Hdispiro(indole32pyrrolizine33indole)22dione
(1S3R3S7aS)5ethyl1((3(prop2en1yloxy)phenyl)carbonyl)5677atetrahydro1Hdispiro(indole32pyrrolizine33indole)22(1H1H)dione
16404119
2((15~(S))10(2methylphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)~(N)(oxolan2ylmethyl)benzamide
956975443
C=CCOc1cccc(c1)C(=O)(C@@H)1(C@@H)2CCCN2(C@@)2((C@)31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(CC)cc1
InChI=1SC32H30N4O4c1199231121(19)292824(2212461425(22)3428)172731(38)36(32(39)35(27)29)2615751323(26)30(37)331820108164020h279111520272934H8101618H21H3(H3337)t20?2729?m0s1
MFCD06766195
ZINC000070700001
ZINC70700001

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Available files

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