Vitas-M small molecule compound
2-(2-chlorobenzyl)-N-[(2Z)-5-cyclobutyl-1,3,4-thiadiazol-2(3H)-ylidene]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
Catalog ID
STL160958
SMILES O=C(c1ccc2c(c1)C(=O)N(C2=O)Cc1ccccc1Cl)/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 C22H17ClN4O3S MW 452.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN4O3S/c23-17-7-2-1-4-14(17)11-27-20(29)15-9-8-13(10-16(15)21(27)30)18(28)24-22-26-25-19(31-22)12-5-3-6-12/h1-2,4,7-10,12H,3,5-6,11H2,(H,24,26,28)InChIKey
ZBWDVEACMFHWJL-UHFFFAOYSA-NSynonyms
1282097-37-31282097373
2((2chlorophenyl)methyl)N(5cyclobutyl134thiadiazol2yl)13dioxoisoindole5carboxamide
2(2chlorobenzyl)N((2Z)5cyclobutyl134thiadiazol2(3H)ylidene)13dioxo23dihydro1Hisoindole5carboxamide
C1CC(C1)C2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5Cl
InChI=1SC22H17ClN4O3Sc2317721414(17)112720(29)159813(1016(15)21(27)30)18(28)2422262519(3122)1253612h12471012H35611H2(H242628)
MFCD20759207
O=C(c1ccc2c(c1)C(=O)N(C2=O)Cc1ccccc1Cl)N=c1(nH)nc(s1)C1CCC1
ZINC000061720912
ZINC61720912
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