Vitas-M small molecule compound
N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-1,3-dioxo-2-(2-phenylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
Catalog ID
STK652117
SMILES COCc1n[nH]/c(=N\C(=O)c2ccc3c(c2)C(=O)N(C3=O)CCc2ccccc2)/s1
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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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-29-12-17-23-24-21(30-17)22-18(26)14-7-8-15-16(11-14)20(28)25(19(15)27)10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,22,24,26)InChIKey
WRFDSDXTVPVTIJ-UHFFFAOYSA-NSynonyms
1144452-55-01144452550
COCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4
COCc1n(nH)c(=NC(=O)c2ccc3c(c2)C(=O)N(C3=O)CCc2ccccc2)s1
InChI=1SC21H18N4O4Sc1291217232421(3017)2218(26)14781516(1114)20(28)25(19(15)27)109135324613h2811H91012H21H3(H222426)
MFCD18166220
N((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)13dioxo2(2phenylethyl)23dihydro1Hisoindole5carboxamide
N(5(methoxymethyl)134thiadiazol2yl)13dioxo2(2phenylethyl)isoindole5carboxamide
ZINC000031810081
ZINC31810081
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