Vitas-M small molecule compound

N-(1,3-benzodioxol-5-ylmethyl)-N'-[3-(1,1-dioxido-1,2-thiazinan-2-yl)-4-methoxyphenyl]ethanediamide

Catalog ID
STK937189
SMILES COc1ccc(cc1N1CCCCS1(=O)=O)NC(=O)C(=O)NCc1ccc2c(c1)OCO2

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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 C21H23N3O7S MW 461.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O7S/c1-29-17-7-5-15(11-16(17)24-8-2-3-9-32(24,27)28)23-21(26)20(25)22-12-14-4-6-18-19(10-14)31-13-30-18/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,22,25)(H,23,26)
InChIKey
QILCBKOOZWKAQP-UHFFFAOYSA-N
Synonyms
1219582-00-9
1219582009
COC1=C(C=C(C=C1)NC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3)N4CCCCS4(=O)=O
InChI=1SC21H23N3O7Sc129177515(1116(17)24823932(2427)28)2321(26)20(25)221214461819(1014)31133018h471011H23891213H21H3(H2225)(H2326)
MFCD16625651
N(13benzodioxol5ylmethyl)N(3(11dioxido12thiazinan2yl)4methoxyphenyl)ethanediamide
N(13benzodioxol5ylmethyl)N(3(11dioxothiazinan2yl)4methoxyphenyl)oxamide
N1(benzo(d)(13)dioxol5ylmethyl)N2(3(11dioxido12thiazinan2yl)4methoxyphenyl)oxalamide
ZINC000040284895
ZINC40284895

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Available files

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