Vitas-M small molecule compound

N-{[(5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}-D-phenylalanine

Catalog ID
STK801605
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)N[C@@H](C(=O)O)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 C21H23N3O4 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4/c25-19-8-4-7-18-16-9-15(12-24(18)19)11-23(13-16)21(28)22-17(20(26)27)10-14-5-2-1-3-6-14/h1-8,15-17H,9-13H2,(H,22,28)(H,26,27)/t15-,16+,17+/m0/s1
InChIKey
IZAYJNCKDMBXTP-GVDBMIGSSA-N
Synonyms

(S)2((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carboxamido)3phenylpropanoicacid
C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=O)NC(CC4=CC=CC=C4)C(=O)O
InChI=1SC21H23N3O4c25198471816915(1224(18)19)1123(1316)21(28)2217(20(26)27)10145213614h181517H913H2(H2228)(H2627)t1516+17m1s1
MFCD13372536
N(((5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonyl)Dphenylalanine
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)N(C@@H)(C(=O)O)Cc1ccccc1
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)N(C@H)(C(=O)O)Cc1ccccc1
ZINC000101123231
ZINC16042218

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Available files

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