Vitas-M small molecule compound

N-[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-beta-alanyl-S-benzyl-L-cysteine

Catalog ID
STK573568
SMILES O=C(N[C@H](C(=O)O)CSCc1ccccc1)CCNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)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 C29H30N2O7S MW 550.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O7S/c1-16-18(3)37-24-13-25-21(11-20(16)24)17(2)22(29(36)38-25)12-27(33)30-10-9-26(32)31-23(28(34)35)15-39-14-19-7-5-4-6-8-19/h4-8,11,13,23H,9-10,12,14-15H2,1-3H3,(H,30,33)(H,31,32)(H,34,35)/t23-/m0/s1
InChIKey
ZZWRSYVDISIPSN-QHCPKHFHSA-N
Synonyms
1014084-60-6
(2R)3benzylsulfanyl2(3((2(235trimethyl7oxofuro(32g)chromen6yl)acetyl)amino)propanoylamino)propanoicacid
(R)3(benzylthio)2(3(2(235trimethyl7oxo7Hfuro(32g)chromen6yl)acetamido)propanamido)propanoicacid
1014084606
CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2)CC(=O)NCCC(=O)NC(CSCC4=CC=CC=C4)C(=O)O)C)C
InChI=1SC29H30N2O7Sc11618(3)3724132521(1120(16)24)17(2)22(29(36)3825)1227(33)3010926(32)3123(28(34)35)153914197546819h48111323H910121415H213H3(H3033)(H3132)(H3435)t23m0s1
MFCD08284478
N((235trimethyl7oxo7Hfuro(32g)chromen6yl)acetyl)betaalanylSbenzylLcysteine
O=C(N(C@H)(C(=O)O)CSCc1ccccc1)CCNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
ZINC000097957049
ZINC97957049

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Available files

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