Vitas-M small molecule compound
N-[(2Z)-5-cyclobutyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-(4-methoxybenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
Catalog ID
STL159907
SMILES COc1ccc(cc1)CN1C(=O)c2c(C1=O)cc(cc2)C(=O)/N=c\1/[nH]nc(s1)C1CCC1
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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 C23H20N4O4S MW 448.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O4S/c1-31-16-8-5-13(6-9-16)12-27-21(29)17-10-7-15(11-18(17)22(27)30)19(28)24-23-26-25-20(32-23)14-3-2-4-14/h5-11,14H,2-4,12H2,1H3,(H,24,26,28)InChIKey
IIFCDKXPTRINJV-UHFFFAOYSA-NSynonyms
1282097-84-01282097840
COC1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=NN=C(S4)C5CCC5
COc1ccc(cc1)CN1C(=O)c2c(C1=O)cc(cc2)C(=O)N=c1(nH)nc(s1)C1CCC1
InChI=1SC23H20N4O4Sc131168513(6916)122721(29)1710715(1118(17)22(27)30)19(28)2423262520(3223)1432414h51114H2412H21H3(H242628)
MFCD20758833
N((2Z)5cyclobutyl134thiadiazol2(3H)ylidene)2(4methoxybenzyl)13dioxo23dihydro1Hisoindole5carboxamide
N(5cyclobutyl134thiadiazol2yl)2((4methoxyphenyl)methyl)13dioxoisoindole5carboxamide
ZINC000061720293
ZINC61720293
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