Vitas-M small molecule compound

(7S)-N-[(2S)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide

Catalog ID
STL531418
SMILES CC(NC(=O)[C@@H](NC(=O)[C@@H]1Cc2c(C3N1C(=O)c1c3cccc1)[nH]c1c2cccc1)CC(C)C)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 C28H32N4O3 MW 472.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O3/c1-15(2)13-22(26(33)29-16(3)4)31-27(34)23-14-20-17-9-7-8-12-21(17)30-24(20)25-18-10-5-6-11-19(18)28(35)32(23)25/h5-12,15-16,22-23,25,30H,13-14H2,1-4H3,(H,29,33)(H,31,34)/t22-,23-,25?/m0/s1
InChIKey
OIBQRBYICXBGJW-REQUTJCGSA-N
Synonyms
957045-90-8
(11~(S))~(N)((2~(S))4methyl1oxo1(propan2ylamino)pentan2yl)9oxo1020diazapentacyclo(11700^(210)0^(38)0^(1419))icosa1(13)357141618heptaene11carboxamide
(7S)N((2S)4methyl1oxo1(propan2ylamino)pentan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
(7S)N((S)1(isopropylamino)4methyl1oxopentan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
16405334
957045908
CC(NC(=O)(C@@H)(NC(=O)(C@@H)1Cc2c(C3N1C(=O)c1c3cccc1)(nH)c1c2cccc1)CC(C)C)C
InChI=1SC28H32N4O3c115(2)1322(26(33)2916(3)4)3127(34)231420179781221(17)3024(20)251810561119(18)28(35)32(23)25h512151622232530H1314H214H3(H2933)(H3134)t222325?m0s1
MFCD06770088
ZINC000008791572
ZINC000008791574

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Available files

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