Vitas-M small molecule compound
(1'S,3R,3'S,7a'S)-5''-ethyl-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
STL529575
SMILES CCCOc1cccc(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 C33H33N3O4 MW 535.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O4/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/h5-7,9-12,14-15,18-19,27-28H,3-4,8,13,16-17H2,1-2H3,(H,34,38)(H,35,39)/t27-,28-,32+,33+/m0/s1InChIKey
CRERHORROZTATG-RQGZQSEYSA-NSynonyms
956956-46-0(11~(S))~(N)butan2yl9oxo1020diazapentacyclo(11700^(210)0^(38)0^(1419))icosa1(13)357141618heptaene11carboxamide
(1S3R3S7aS)5ethyl1((3propoxyphenyl)carbonyl)11225677aoctahydro1Hdispiro(indole32pyrrolizine33indole)22dione
(1S3R3S7aS)5ethyl1((3propoxyphenyl)carbonyl)5677atetrahydro1Hdispiro(indole32pyrrolizine33indole)22(1H1H)dione
16404153
956956460
CCCOc1cccc(c1)C(=O)(C@@H)1(C@@H)2CCCN2(C@@)2((C@)31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(CC)cc1
InChI=1SC23H23N3O2c1313(2)2422(27)191217148671118(14)2520(17)21159451016(15)23(28)26(19)21h41113192125H312H212H3(H2427)t13?1921?m0s1
MFCD06766287
ZINC000070700046
ZINC70700046
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