Vitas-M small molecule compound
2-{3-(4-Chloro-phenyl)-4-[(piperidine-4-carbonyl)-amino]-butyrylamino}-3-hydroxy-butyric acid
Catalog ID
STK608069
SMILES O=C(CC(c1ccc(cc1)Cl)CNC(=O)C1CCNCC1)N[C@H](C(=O)O)C(O)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 C20H28ClN3O5 MW 425.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28ClN3O5/c1-12(25)18(20(28)29)24-17(26)10-15(13-2-4-16(21)5-3-13)11-23-19(27)14-6-8-22-9-7-14/h2-5,12,14-15,18,22,25H,6-11H2,1H3,(H,23,27)(H,24,26)(H,28,29)/t12?,15-,18-/m0/s1InChIKey
JWZXOKJSFIXIBL-MDSZMTLUSA-NSynonyms
(2S)2(((3R)3(4chlorophenyl)4(piperidine4carbonylamino)butanoyl)amino)3hydroxybutanoicacid
(2S3S)2((R)3(4chlorophenyl)4(piperidine4carboxamido)butanamido)3hydroxybutanoicacidhydrochloride
CC(C(C(=O)O)NC(=O)CC(CNC(=O)C1CCNCC1)C2=CC=C(C=C2)Cl)O
InChI=1SC20H28ClN3O5c112(25)18(20(28)29)2417(26)1015(132416(21)5313)112319(27)1468229714h25121415182225H611H21H3(H2327)(H2426)(H2829)t12?1518m0s1
MFCD08292198
O=C(C(C@H)(c1ccc(cc1)Cl)CNC(=O)C1CCNCC1)N(C@H)(C(=O)O)C(O)CCl
O=C(CC(c1ccc(cc1)Cl)CNC(=O)C1CCNCC1)N(C@H)(C(=O)O)C(O)C
ZINC000008739693
ZINC000013548279
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