Vitas-M small molecule compound

1,1-dioxido-3-(phenylcarbonyl)-2-(prop-2-en-1-yl)-2H-1,2-benzothiazin-4-yl (naphthalen-2-yloxy)acetate

Catalog ID
STL011994
SMILES C=CCN1C(=C(OC(=O)COc2ccc3c(c2)cccc3)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1

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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 C30H23NO6S MW 525.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23NO6S/c1-2-18-31-28(29(33)22-11-4-3-5-12-22)30(25-14-8-9-15-26(25)38(31,34)35)37-27(32)20-36-24-17-16-21-10-6-7-13-23(21)19-24/h2-17,19H,1,18,20H2
InChIKey
GYOGYKFGFGLKSI-UHFFFAOYSA-N
Synonyms
578749-30-1
(3benzoyl11dioxo2prop2enyl1$l^(6)2benzothiazin4yl)2naphthalen2yloxyacetate
11dioxido3(phenylcarbonyl)2(prop2en1yl)2H12benzothiazin4yl(naphthalen2yloxy)acetate
2allyl3benzoyl11dioxido2Hbenzo(e)(12)thiazin4yl2(naphthalen2yloxy)acetate
578749301
C=CCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)COC3=CC4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5
InChI=1SC30H23NO6Sc12183128(29(33)22114351222)30(2514891526(25)38(3134)35)3727(32)20362417162110671323(21)1924h21719H11820H2
MFCD04025037
ZINC000002371284
ZINC2371284

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Available files

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