Vitas-M small molecule compound
N-[(2S)-1-(benzylamino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide
Catalog ID
STL529964
SMILES CSCC[C@@H](C(=O)NCc1ccccc1)NC(=O)C1Cc2c(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 C31H30N4O3S MW 538.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O3S/c1-39-16-15-25(29(36)32-18-19-9-3-2-4-10-19)34-30(37)26-17-23-20-11-7-8-14-24(20)33-27(23)28-21-12-5-6-13-22(21)31(38)35(26)28/h2-14,25-26,28,33H,15-18H2,1H3,(H,32,36)(H,34,37)/t25-,26?,28?/m0/s1InChIKey
QSHBITULIXIKGP-MRNPYCGKSA-NSynonyms
1029940-41-7~(N)((2~(S))1(benzylamino)4methylsulfanyl1oxobutan2yl)9oxo1020diazapentacyclo(11700^(210)0^(38)0^(1419))icosa1(13)357141618heptaene11carboxamide
1029940417
16405521
CSCC(C@@H)(C(=O)NCc1ccccc1)NC(=O)C1Cc2c(C3N1C(=O)c1c3cccc1)(nH)c1c2cccc1
InChI=1SC31H30N4O3Sc139161525(29(36)32181993241019)3430(37)2617232011781424(20)3327(23)282112561322(21)31(38)35(26)28h21425262833H1518H21H3(H3236)(H3437)t2526?28?m0s1
MFCD08002411
N((2S)1(benzylamino)4(methylsulfanyl)1oxobutan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
N((S)1(benzylamino)4(methylthio)1oxobutan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
ZINC000070704847
ZINC000070704858
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