Vitas-M small molecule compound

N~5~-carbamoyl-N~2~-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]-L-ornithyl-S-benzyl-L-cysteine

Catalog ID
STK572496
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2)N[C@H](C(=O)N[C@H](C(=O)O)CSCc1ccccc1)CCCNC(=O)N

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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 C34H38N4O8S MW 662.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N4O8S/c1-19-22-14-24-21-10-5-6-12-27(21)45-29(24)16-28(22)46-33(43)23(19)15-30(39)37-25(11-7-13-36-34(35)44)31(40)38-26(32(41)42)18-47-17-20-8-3-2-4-9-20/h2-4,8-9,14,16,25-26H,5-7,10-13,15,17-18H2,1H3,(H,37,39)(H,38,40)(H,41,42)(H3,35,36,44
InChIKey
SZEPLZKMQRUOBF-UIOOFZCWSA-N
Synonyms
1014021-88-5
(2R)3benzylsulfanyl2(((2S)5(carbamoylamino)2((2(4methyl2oxo6789tetrahydro(1)benzofuro(32g)chromen3yl)acetyl)amino)pentanoyl)amino)propanoicacid
(R)3(benzylthio)2((S)2(2(4methyl2oxo6789tetrahydro2Hbenzofuro(32g)chromen3yl)acetamido)5ureidopentanamido)propanoicacid
1014021885
CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2)CC(=O)NC(CCCNC(=O)N)C(=O)NC(CSCC5=CC=CC=C5)C(=O)O
InChI=1SC34H38N4O8Sc1192214242110561227(21)4529(24)1628(22)4633(43)23(19)1530(39)3725(117133634(35)44)31(40)3826(32(41)42)184717208324920h248914162526H571013151718H21H3(H3739)(H3840)(H4142)(H3353644)t2526m0s1
MFCD18245443
N~5~carbamoylN~2~((4methyl2oxo6789tetrahydro2H(1)benzofuro(32g)chromen3yl)acetyl)LornithylSbenzylLcysteine
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2)N(C@H)(C(=O)N(C@H)(C(=O)O)CSCc1ccccc1)CCCNC(=O)N
ZINC000097957017
ZINC97957017

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Available files

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