Vitas-M small molecule compound

N-[3-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanyl-L-tryptophan

Catalog ID
STL531812
SMILES O=C(CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C)NCCC(=O)N[C@H](C(=O)O)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 C30H29N3O7 MW 543.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O7/c1-16-15-39-25-13-26-22(12-21(16)25)17(2)19(30(38)40-26)7-8-27(34)31-10-9-28(35)33-24(29(36)37)11-18-14-32-23-6-4-3-5-20(18)23/h3-6,12-15,24,32H,7-11H2,1-2H3,(H,31,34)(H,33,35)(H,36,37)/t24-/m0/s1
InChIKey
GGWQAJCAPKPOAS-DEOSSOPVSA-N
Synonyms
956823-43-1
(2~(S))2(3(3(35dimethyl7oxofuro(32g)chromen6yl)propanoylamino)propanoylamino)3(1~(H)indol3yl)propanoicacid
(S)2(3(3(35dimethyl7oxo7Hfuro(32g)chromen6yl)propanamido)propanamido)3(1Hindol3yl)propanoicacid
16405591
956823431
InChI=1SC30H29N3O7c116153925132622(1221(16)25)17(2)19(30(38)4026)7827(34)3110928(35)3324(29(36)37)1118143223643520(18)23h3612152432H711H212H3(H3134)(H3335)(H3637)t24m0s1
MFCD08002418
N(3(35dimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)betaalanylLtryptophan
O=C(CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C)NCCC(=O)N(C@H)(C(=O)O)Cc1c(nH)c2c1cccc2
ZINC000070705052
ZINC70705052

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Available files

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