Vitas-M small molecule compound

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

Catalog ID
STL530611
SMILES O=C([C@@H](NC(=O)[C@@H]1Cc2c(C3N1C(=O)c1c3cccc1)[nH]c1c2cccc1)C)NCc1ccc2c(c1)OCO2

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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 C30H26N4O5 MW 522.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N4O5/c1-16(28(35)31-14-17-10-11-24-25(12-17)39-15-38-24)32-29(36)23-13-21-18-6-4-5-9-22(18)33-26(21)27-19-7-2-3-8-20(19)30(37)34(23)27/h2-12,16,23,27,33H,13-15H2,1H3,(H,31,35)(H,32,36)/t16-,23-,27?/m0/s1
InChIKey
WGQJDHGVFDLOAU-QCCRFBSBSA-N
Synonyms
956958-05-7
(11~(S))~(N)((2~(S))1(13benzodioxol5ylmethylamino)1oxopropan2yl)9oxo1020diazapentacyclo(11700^(210)0^(38)0^(1419))icosa1(13)357141618heptaene11carboxamide
(7S)N((2S)1((13benzodioxol5ylmethyl)amino)1oxopropan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
(7S)N((S)1((benzo(d)(13)dioxol5ylmethyl)amino)1oxopropan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
16405310
956958057
InChI=1SC30H26N4O5c116(28(35)31141710112425(1217)39153824)3229(36)23132118645922(18)3326(21)2719723820(19)30(37)34(23)27h21216232733H1315H21H3(H3135)(H3236)t162327?m0s1
MFCD06769985
O=C((C@@H)(NC(=O)(C@@H)1Cc2c(C3N1C(=O)c1c3cccc1)(nH)c1c2cccc1)C)NCc1ccc2c(c1)OCO2
ZINC000015970210
ZINC000070701601

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Available files

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