Vitas-M small molecule compound

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

Catalog ID
STL462749
SMILES Cc1c(CC(=O)N[C@@H](C(=O)O)C)c(=O)oc2c1cc1c(C)coc1c2

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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 C18H17NO6 MW 343.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO6/c1-8-7-24-14-6-15-12(4-11(8)14)9(2)13(18(23)25-15)5-16(20)19-10(3)17(21)22/h4,6-7,10H,5H2,1-3H3,(H,19,20)(H,21,22)/t10-/m1/s1
InChIKey
JUEDETPJRIGCBD-SNVBAGLBSA-N
Synonyms

(2R)2((2(35DIMETHYL7OXOFURO(32G)CHROMEN6YL)ACETYL)AMINO)PROPANOICACID
(S)2(2(35dimethyl7oxo7Hfuro(32g)chromen6yl)acetamido)propanoicacid
CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NC(C)C(=O)O)C
Cc1c(CC(=O)N(C@@H)(C(=O)O)C)c(=O)oc2c1cc1c(C)coc1c2
Cc1c(CC(=O)N(C@H)(C(=O)O)C)c(=O)oc2c1cc1c(C)coc1c2
InChI=1SC18H17NO6c187241461512(411(8)14)9(2)13(18(23)2515)516(20)1910(3)17(21)22h46710H5H213H3(H1920)(H2122)t10m1s1
N((35dimethyl7oxo7Hfuro(32g)chromen6yl)acetyl)Dalanine
ZINC000005982106
ZINC5982106

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Available files

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