Vitas-M small molecule compound

(7S)-N-[(2S)-1-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-methyl-1-oxopentan-2-yl]-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide

Catalog ID
STL530339
SMILES CC(C[C@@H](C(=O)NCCC1=CCCCC1)NC(=O)[C@@H]1Cc2c(C3N1C(=O)c1c3cccc1)[nH]c1c2cccc1)C

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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 C33H38N4O3 MW 538.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H38N4O3/c1-20(2)18-27(31(38)34-17-16-21-10-4-3-5-11-21)36-32(39)28-19-25-22-12-8-9-15-26(22)35-29(25)30-23-13-6-7-14-24(23)33(40)37(28)30/h6-10,12-15,20,27-28,30,35H,3-5,11,16-19H2,1-2H3,(H,34,38)(H,36,39)/t27-,28-,30?/m0/s1
InChIKey
IUKRWZPBTVXTQQ-SRBHEWTHSA-N
Synonyms
956145-84-9
(11~(S))~(N)((2~(S))1(2(cyclohexen1yl)ethylamino)4methyl1oxopentan2yl)9oxo1020diazapentacyclo(11700^(210)0^(38)0^(1419))icosa1(13)357141618heptaene11carboxamide
(7S)N((2S)1((2(cyclohex1en1yl)ethyl)amino)4methyl1oxopentan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
(7S)N((S)1((2(cyclohex1en1yl)ethyl)amino)4methyl1oxopentan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
16405231
956145849
CC(C(C@@H)(C(=O)NCCC1=CCCCC1)NC(=O)(C@@H)1Cc2c(C3N1C(=O)c1c3cccc1)(nH)c1c2cccc1)C
InChI=1SC33H38N4O3c120(2)1827(31(38)34171621104351121)3632(39)2819252212891526(22)3529(25)302313671424(23)33(40)37(28)30h61012152027283035H35111619H212H3(H3438)(H3639)t272830?m0s1
MFCD06769572
ZINC000070701516
ZINC000070701518

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Available files

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