Vitas-M small molecule compound
1-(4-ethoxyphenyl)-3-[(2E)-5-(4-nitrobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
Catalog ID
STK559033
SMILES CCOc1ccc(cc1)NC(=O)/N=c/1\[nH]nc(s1)Cc1ccc(cc1)[N+](=O)[O-]
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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 C18H17N5O4S MW 399.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O4S/c1-2-27-15-9-5-13(6-10-15)19-17(24)20-18-22-21-16(28-18)11-12-3-7-14(8-4-12)23(25)26/h3-10H,2,11H2,1H3,(H2,19,20,22,24)InChIKey
OIBAOOIGAAKIGP-UHFFFAOYSA-NSynonyms
426243-83-61(4ethoxyphenyl)3((2E)5(4nitrobenzyl)134thiadiazol2(3H)ylidene)urea
1(4ETHOXYPHENYL)3(5((4NITROPHENYL)METHYL)134THIADIAZOL2YL)UREA
426243836
CCOC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)(N+)(=O)(O)
CCOc1ccc(cc1)NC(=O)N=c1(nH)nc(s1)Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC18H17N5O4Sc1227159513(61015)1917(24)2018222116(2818)11123714(8412)23(25)26h310H211H21H3(H219202224)
MFCD03800565
ZINC000002238516
ZINC02238516
ZINC2238516
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