Vitas-M small molecule compound

(7S)-N-[(2S)-1-{[2-(3-fluorophenyl)ethyl]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
STL530976
SMILES Fc1cccc(c1)CCNC(=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 C32H31FN4O3 MW 538.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31FN4O3/c1-18(2)27(31(39)34-15-14-19-8-7-9-20(33)16-19)36-30(38)26-17-24-21-10-5-6-13-25(21)35-28(24)29-22-11-3-4-12-23(22)32(40)37(26)29/h3-13,16,18,26-27,29,35H,14-15,17H2,1-2H3,(H,34,39)(H,36,38)/t26-,27-,29?/m0/s1
InChIKey
LOWBBHHVRSCECA-DARYULOESA-N
Synonyms
956956-84-6
(11~(S))~(N)((2~(S))1(2(3fluorophenyl)ethylamino)3methyl1oxobutan2yl)9oxo1020diazapentacyclo(11700^(210)0^(38)0^(1419))icosa1(13)357141618heptaene11carboxamide
(7S)N((2S)1((2(3fluorophenyl)ethyl)amino)3methyl1oxobutan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
(7S)N((S)1((3fluorophenethyl)amino)3methyl1oxobutan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
16404410
956956846
Fc1cccc(c1)CCNC(=O)(C@H)(C(C)C)NC(=O)(C@@H)1Cc2c(C3N1C(=O)c1c3cccc1)(nH)c1c2cccc1
InChI=1SC32H31FN4O3c118(2)27(31(39)3415141987920(33)1619)3630(38)2617242110561325(21)3528(24)292211341223(22)32(40)37(26)29h313161826272935H141517H212H3(H3439)(H3638)t262729?m0s1
MFCD07636928
ZINC000070700521
ZINC000070700524

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Available files

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