Vitas-M small molecule compound
1-(4-ethoxyphenyl)-3-[(2Z)-5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]urea
Catalog ID
STL149417
SMILES CCOc1ccc(cc1)NC(=O)/N=c\1/[nH]nc(s1)COc1ccc(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 C18H17N5O5S MW 415.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O5S/c1-2-27-14-7-3-12(4-8-14)19-17(24)20-18-22-21-16(29-18)11-28-15-9-5-13(6-10-15)23(25)26/h3-10H,2,11H2,1H3,(H2,19,20,22,24)InChIKey
IWNUYJPHPROOHL-UHFFFAOYSA-NSynonyms
6377-17-91(4ethoxyphenyl)3((2Z)5((4nitrophenoxy)methyl)134thiadiazol2(3H)ylidene)urea
1(4ETHOXYPHENYL)3(5((4NITROPHENOXY)METHYL)134THIADIAZOL2YL)UREA
6377179
CCOC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)(N+)(=O)(O)
CCOc1ccc(cc1)NC(=O)N=c1(nH)nc(s1)COc1ccc(cc1)(N+)(=O)(O)
InChI=1SC18H17N5O5Sc1227147312(4814)1917(24)2018222116(2918)1128159513(61015)23(25)26h310H211H21H3(H219202224)
MFCD03807335
ZINC000017145690
ZINC17145690
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