Vitas-M small molecule compound
1-[(2E)-5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(2-methoxyphenyl)urea
Catalog ID
STL046849
SMILES COc1ccccc1NC(=O)/N=c/1\[nH]nc(s1)c1ccc2c(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 C17H14N4O4S MW 370.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O4S/c1-23-12-5-3-2-4-11(12)18-16(22)19-17-21-20-15(26-17)10-6-7-13-14(8-10)25-9-24-13/h2-8H,9H2,1H3,(H2,18,19,21,22)InChIKey
LPAAROAMDHOWRB-UHFFFAOYSA-NSynonyms
426244-65-71((2E)5(13benzodioxol5yl)134thiadiazol2(3H)ylidene)3(2methoxyphenyl)urea
1(5(13BENZODIOXOL5YL)134THIADIAZOL2YL)3(2METHOXYPHENYL)UREA
1(5BENZO(13)DIOXOL5YL(134)THIADIAZOL2YL)3(2METHOXYPHENYL)UREA
426244657
COC1=CC=CC=C1NC(=O)NC2=NN=C(S2)C3=CC4=C(C=C3)OCO4
COc1ccccc1NC(=O)N=c1(nH)nc(s1)c1ccc2c(c1)OCO2
InChI=1SC17H14N4O4Sc12312532411(12)1816(22)1917212015(2617)10671314(810)2592413h28H9H21H3(H218192122)
MFCD03797924
ZINC000001299322
ZINC01299322
ZINC01299323
ZINC1299322
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