Vitas-M small molecule compound

N-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan

Catalog ID
STK716986
SMILES OC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](n1nnc2c(c1=O)cccc2)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 C21H19N5O4 MW 405.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O4/c1-12(26-20(28)15-7-3-5-9-17(15)24-25-26)19(27)23-18(21(29)30)10-13-11-22-16-8-4-2-6-14(13)16/h2-9,11-12,18,22H,10H2,1H3,(H,23,27)(H,29,30)/t12-,18-/m0/s1
InChIKey
NTYVDUWYWLFUGG-SGTLLEGYSA-N
Synonyms
958983-82-9
(2S)3(1HINDOL3YL)2(((2S)2(4OXO123BENZOTRIAZIN3YL)PROPANOYL)AMINO)PROPANOICACID
(S)3(1HINDOL3YL)2((S)2(4OXO4HBENZO(D)(123)TRIAZIN3YL)PROPIONYLAMINO)PROPIONICACID
(S)3(1Hindol3yl)2((S)2(4oxobenzo(d)(123)triazin3(4H)yl)propanamido)propanoicacid
958983829
CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)N3C(=O)C4=CC=CC=C4N=N3
InChI=1SC21H19N5O4c112(2620(28)15735917(15)242526)19(27)2318(21(29)30)1013112216842614(13)16h2911121822H10H21H3(H2327)(H2930)t1218m0s1
MFCD06612624
N((2S)2(4oxo123benzotriazin3(4H)yl)propanoyl)Ltryptophan
OC(=O)(C@H)(Cc1c(nH)c2c1cccc2)NC(=O)(C@@H)(n1nnc2c(c1=O)cccc2)C
ZINC000002358641
ZINC2358641

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.