Vitas-M small molecule compound

N-[(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]glycyl-D-isoleucine

Catalog ID
STL464396
SMILES CC[C@@H]([C@H](C(=O)O)NC(=O)CNC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)OC)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 C21H26N2O7 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O7/c1-5-11(2)19(20(26)27)23-18(25)10-22-17(24)9-15-12(3)14-7-6-13(29-4)8-16(14)30-21(15)28/h6-8,11,19H,5,9-10H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)/t11-,19+/m0/s1
InChIKey
USNOHDPPTLVNAI-JEOXALJRSA-N
Synonyms

(2R3S)2((2((2(7methoxy4methyl2oxochromen3yl)acetyl)amino)acetyl)amino)3methylpentanoicacid
(2S3R)2(2(2(7methoxy4methyl2oxo2Hchromen3yl)acetamido)acetamido)3methylpentanoicacid
CC(C@@H)((C@H)(C(=O)O)NC(=O)CNC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)OC)C
CC(C@H)((C@@H)(C(=O)O)NC(=O)CNC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)OC)C
CCC(C)C(C(=O)O)NC(=O)CNC(=O)CC1=C(C2=C(C=C(C=C2)OC)OC1=O)C
InChI=1SC21H26N2O7c1511(2)19(20(26)27)2318(25)102217(24)91512(3)147613(294)816(14)3021(15)28h681119H5910H214H3(H2224)(H2325)(H2627)t1119+m0s1
MFCD10041708
N((7methoxy4methyl2oxo2Hchromen3yl)acetyl)glycylDisoleucine
ZINC000011865661
ZINC11865661

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Available files

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