Vitas-M small molecule compound

(7S)-N-{(2S)-1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide

Catalog ID
STL530142
SMILES COCCNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1Cc2c(C3N1C(=O)c1c3cccc1)[nH]c1c2cccc1

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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 C27H30N4O4 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O4/c1-15(2)22(26(33)28-12-13-35-3)30-25(32)21-14-19-16-8-6-7-11-20(16)29-23(19)24-17-9-4-5-10-18(17)27(34)31(21)24/h4-11,15,21-22,24,29H,12-14H2,1-3H3,(H,28,33)(H,30,32)/t21-,22-,24?/m0/s1
InChIKey
HKUFPGQNVOMVRJ-AJVCAZFQSA-N
Synonyms
956958-23-9
(11~(S))~(N)((2~(S))1(2methoxyethylamino)3methyl1oxobutan2yl)9oxo1020diazapentacyclo(11700^(210)0^(38)0^(1419))icosa1(13)357141618heptaene11carboxamide
(7S)N((2S)1((2methoxyethyl)amino)3methyl1oxobutan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
(7S)N((S)1((2methoxyethyl)amino)3methyl1oxobutan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
16405325
956958239
COCCNC(=O)(C@H)(C(C)C)NC(=O)(C@@H)1Cc2c(C3N1C(=O)c1c3cccc1)(nH)c1c2cccc1
InChI=1SC27H30N4O4c115(2)22(26(33)281213353)3025(32)211419168671120(16)2923(19)24179451018(17)27(34)31(21)24h4111521222429H1214H213H3(H2833)(H3032)t212224?m0s1
MFCD06770049
ZINC000008791558
ZINC000012887434

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Available files

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