Vitas-M small molecule compound

methyl 4-(5-{(E)-[3-(1-methoxy-1-oxopropan-2-yl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-3-methylbenzoate

Catalog ID
STK154988
SMILES COC(=O)c1ccc(c(c1)C)c1ccc(o1)/C=C\1/SC(=O)N(C1=O)C(C(=O)OC)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 C21H19NO7S MW 429.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO7S/c1-11-9-13(20(25)28-4)5-7-15(11)16-8-6-14(29-16)10-17-18(23)22(21(26)30-17)12(2)19(24)27-3/h5-10,12H,1-4H3/b17-10+
InChIKey
ZWIXPOLRCAWGTG-LICLKQGHSA-N
Synonyms

CC1=C(C=CC(=C1)C(=O)OC)C2=CC=C(O2)C=C3C(=O)N(C(=O)S3)C(C)C(=O)OC
COC(=O)c1ccc(c(c1)C)c1ccc(o1)C=C1SC(=O)N(C1=O)C(C(=O)OC)C
InChI=1SC21H19NO7Sc111913(20(25)284)5715(11)168614(2916)101718(23)22(21(26)3017)12(2)19(24)273h51012H14H3b1710+
METHYL4(5((E)(3(1METHOXY1OXOPROPAN2YL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)3METHYLBENZOATE
MFCD05625529
ZINC000009322990
ZINC000009322991

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Available files

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