Vitas-M small molecule compound

N-[(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-S-ethyl-D-homocysteine

Catalog ID
STL464339
SMILES CCSCC[C@H](C(=O)O)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)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 C21H23NO6S MW 417.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO6S/c1-4-29-6-5-16(20(24)25)22-19(23)8-15-12(3)14-7-13-11(2)10-27-17(13)9-18(14)28-21(15)26/h7,9-10,16H,4-6,8H2,1-3H3,(H,22,23)(H,24,25)/t16-/m1/s1
InChIKey
VHATXJKTYVRTBY-MRXNPFEDSA-N
Synonyms

(2R)2((2(35DIMETHYL7OXOFURO(32G)CHROMEN6YL)ACETYL)AMINO)4ETHYLSULFANYLBUTANOICACID
2(2(35dimethyl7oxo7Hfuro(32g)chromen6yl)acetamido)4(ethylthio)butanoicacid
CCSCC(C@@H)(C(=O)O)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C
CCSCC(C@H)(C(=O)O)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C
CCSCCC(C(=O)O)NC(=O)CC1=C(C2=C(C=C3C(=C2)C(=CO3)C)OC1=O)C
InChI=1SC21H23NO6Sc14296516(20(24)25)2219(23)81512(3)1471311(2)102717(13)918(14)2821(15)26h791016H468H213H3(H2223)(H2425)t16m1s1
MFCD06764640
N((35dimethyl7oxo7Hfuro(32g)chromen6yl)acetyl)SethylDhomocysteine
ZINC000002122001
ZINC2122001

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Available files

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