Vitas-M small molecule compound

(2S)-{[(2R)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-3-(1H-indol-3-yl)propanoyl]amino}(phenyl)ethanoic acid

Catalog ID
STK591166
SMILES OC(=O)[C@H](c1ccccc1)NC(=O)[C@H](n1c(=O)[nH]c2c(c1=O)cccc2)Cc1c[nH]c2c1cccc2

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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 C27H22N4O5 MW 482.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O5/c32-24(30-23(26(34)35)16-8-2-1-3-9-16)22(14-17-15-28-20-12-6-4-10-18(17)20)31-25(33)19-11-5-7-13-21(19)29-27(31)36/h1-13,15,22-23,28H,14H2,(H,29,36)(H,30,32)(H,34,35)/t22-,23+/m1/s1
InChIKey
XAPJZJRHUGCTDD-PKTZIBPZSA-N
Synonyms
1014064-05-1
(2S)(((2R)2(24dioxo14dihydroquinazolin3(2H)yl)3(1Hindol3yl)propanoyl)amino)(phenyl)ethanoicacid
(2S)2(((2R)2(24dioxo1Hquinazolin3yl)3(1Hindol3yl)propanoyl)amino)2phenylaceticacid
(S)2((R)2(24dioxo12dihydroquinazolin3(4H)yl)3(1Hindol3yl)propanamido)2phenylaceticacid
1014064051
C1=CC=C(C=C1)C(C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)N4C(=O)C5=CC=CC=C5NC4=O
InChI=1SC27H22N4O5c3224(3023(26(34)35)168213916)22(141715282012641018(17)20)3125(33)1911571321(19)2927(31)36h11315222328H14H2(H2936)(H3032)(H3435)t2223+m1s1
MFCD07640070
OC(=O)(C@H)(c1ccccc1)NC(=O)(C@H)(n1c(=O)(nH)c2c(c1=O)cccc2)Cc1c(nH)c2c1cccc2
ZINC000009129343
ZINC9129343

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Available files

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