Vitas-M small molecule compound
(7S)-N-((2S,3R)-1-(isopropylamino)-3-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
STL532231
SMILES CCC([C@@H](C(=O)NC(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 C28H32N4O3 MW 472.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O3/c1-5-16(4)23(27(34)29-15(2)3)31-26(33)22-14-20-17-10-8-9-13-21(17)30-24(20)25-18-11-6-7-12-19(18)28(35)32(22)25/h6-13,15-16,22-23,25,30H,5,14H2,1-4H3,(H,29,34)(H,31,33)/t16?,22-,23-,25?/m0/s1InChIKey
ALWBDCLBXYNIGT-YLUPUGMKSA-NSynonyms
956950-04-2(11~(S))~(N)((2~(S))3methyl1oxo1(propan2ylamino)pentan2yl)9oxo1020diazapentacyclo(11700^(210)0^(38)0^(1419))icosa1(13)357141618heptaene11carboxamide
(7S)N((2S3R)1(isopropylamino)3methyl1oxopentan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
16405413
956950042
CCC((C@@H)(C(=O)NC(C)C)NC(=O)(C@@H)1Cc2c(C3N1C(=O)c1c3cccc1)(nH)c1c2cccc1)C
InChI=1SC28H32N4O3c1516(4)23(27(34)2915(2)3)3126(33)2214201710891321(17)3024(20)251811671219(18)28(35)32(22)25h613151622232530H514H214H3(H2934)(H3133)t16?222325?m0s1
ZINC000012888031
ZINC000012888051
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