Vitas-M small molecule compound

N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]norvalyl-S-benzyl-L-cysteine

Catalog ID
STK589631
SMILES CCCC(C(=O)N[C@H](C(=O)O)CSCc1ccccc1)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C

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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 C32H36N2O7S MW 592.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36N2O7S/c1-5-9-25(30(36)34-26(31(37)38)17-42-16-21-10-7-6-8-11-21)33-27(35)13-12-22-19(3)24-14-23-18(2)15-40-28(23)20(4)29(24)41-32(22)39/h6-8,10-11,14-15,25-26H,5,9,12-13,16-17H2,1-4H3,(H,33,35)(H,34,36)(H,37,38)/t25?,26-/m0/s1
InChIKey
HLOACRWXXKVBNR-AMVUTOCUSA-N
Synonyms

(2R)3(benzylthio)2(2(3(359trimethyl7oxo7Hfuro(32g)chromen6yl)propanamido)pentanamido)propanoicacid
(2R)3benzylsulfanyl2(2(3(359trimethyl7oxofuro(32g)chromen6yl)propanoylamino)pentanoylamino)propanoicacid
CCCC(C(=O)N(C@H)(C(=O)O)CSCc1ccccc1)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C
CCCC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)O)NC(=O)CCC2=C(C3=C(C(=C4C(=C3)C(=CO4)C)C)OC2=O)C
InChI=1SC32H36N2O7Sc15925(30(36)3426(31(37)38)17421621107681121)3327(35)13122219(3)24142318(2)154028(23)20(4)29(24)4132(22)39h68101114152526H5912131617H214H3(H3335)(H3436)(H3738)t25?26m0s1
MFCD10488062
N(3(359trimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)norvalylSbenzylLcysteine
ZINC000097957006
ZINC000097957007

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.