Vitas-M small molecule compound

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

Catalog ID
STL530088
SMILES CC(OCCCNC(=O)[C@H](C(C)C)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 C30H36N4O4 MW 516.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N4O4/c1-17(2)25(29(36)31-14-9-15-38-18(3)4)33-28(35)24-16-22-19-10-7-8-13-23(19)32-26(22)27-20-11-5-6-12-21(20)30(37)34(24)27/h5-8,10-13,17-18,24-25,27,32H,9,14-16H2,1-4H3,(H,31,36)(H,33,35)/t24-,25-,27?/m0/s1
InChIKey
UNBUTAWPPGPIEL-MVAOMIMOSA-N
Synonyms
956622-90-5
(11~(S))~(N)((2~(S))3methyl1oxo1(3propan2yloxypropylamino)butan2yl)9oxo1020diazapentacyclo(11700^(210)0^(38)0^(1419))icosa1(13)357141618heptaene11carboxamide
(7S)N((2S)3methyl1oxo1((3(propan2yloxy)propyl)amino)butan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
(7S)N((S)1((3isopropoxypropyl)amino)3methyl1oxobutan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
16405309
956622905
CC(OCCCNC(=O)(C@H)(C(C)C)NC(=O)(C@@H)1Cc2c(C3N1C(=O)c1c3cccc1)(nH)c1c2cccc1)C
InChI=1SC30H36N4O4c117(2)25(29(36)31149153818(3)4)3328(35)2416221910781323(19)3226(22)272011561221(20)30(37)34(24)27h581013171824252732H91416H214H3(H3136)(H3335)t242527?m0s1
MFCD06769983
ZINC000012887384
ZINC000012887391

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Available files

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