Vitas-M small molecule compound
N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-phenylalanyl-beta-alanine
Catalog ID
STK588780
SMILES OC(=O)CCNC(=O)[C@@H](NC(=O)c1cc2c(n1C)ccc(c2)Cl)Cc1ccccc1
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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 C22H22ClN3O4 MW 427.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O4/c1-26-18-8-7-16(23)12-15(18)13-19(26)22(30)25-17(11-14-5-3-2-4-6-14)21(29)24-10-9-20(27)28/h2-8,12-13,17H,9-11H2,1H3,(H,24,29)(H,25,30)(H,27,28)/t17-/m0/s1InChIKey
MCAPFOMYJOMGLZ-KRWDZBQOSA-NSynonyms
1014000-77-1(S)3(2(5chloro1methyl1Hindole2carboxamido)3phenylpropanamido)propanoicacid
1014000771
3(((2S)2((5chloro1methylindole2carbonyl)amino)3phenylpropanoyl)amino)propanoicacid
CN1C2=C(C=C(C=C2)Cl)C=C1C(=O)NC(CC3=CC=CC=C3)C(=O)NCCC(=O)O
InChI=1SC22H22ClN3O4c126188716(23)1215(18)1319(26)22(30)2517(11145324614)21(29)2410920(27)28h28121317H911H21H3(H2429)(H2530)(H2728)t17m0s1
MFCD06771693
N((5chloro1methyl1Hindol2yl)carbonyl)Lphenylalanylbetaalanine
OC(=O)CCNC(=O)(C@@H)(NC(=O)c1cc2c(n1C)ccc(c2)Cl)Cc1ccccc1
ZINC000009447521
ZINC9447521
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