Vitas-M small molecule compound
1,1-dioxido-3-(phenylcarbonyl)-2-(prop-2-en-1-yl)-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate
Catalog ID
STK860004
SMILES C=CCN1C(=C(OC(=O)COc2ccc(cc2)C)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 C27H23NO6S MW 489.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23NO6S/c1-3-17-28-25(26(30)20-9-5-4-6-10-20)27(22-11-7-8-12-23(22)35(28,31)32)34-24(29)18-33-21-15-13-19(2)14-16-21/h3-16H,1,17-18H2,2H3InChIKey
XTKKJTUSKBBCPV-UHFFFAOYSA-NSynonyms
577959-93-4(3benzoyl11dioxo2prop2enyl1$l^(6)2benzothiazin4yl)2(4methylphenoxy)acetate
11dioxido3(phenylcarbonyl)2(prop2en1yl)2H12benzothiazin4yl(4methylphenoxy)acetate
2allyl3benzoyl11dioxido2Hbenzo(e)(12)thiazin4yl2(ptolyloxy)acetate
577959934
CC1=CC=C(C=C1)OCC(=O)OC2=C(N(S(=O)(=O)C3=CC=CC=C32)CC=C)C(=O)C4=CC=CC=C4
InChI=1SC27H23NO6Sc13172825(26(30)2095461020)27(2211781223(22)35(2831)32)3424(29)183321151319(2)141621h316H11718H22H3
MFCD04028484
ZINC000002384395
ZINC02384395
ZINC2384395
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