Vitas-M small molecule compound
1-(3,4-dichlorophenyl)-3-[5-(4-nitrobenzyl)-1,3,4-thiadiazol-2-yl]urea
Catalog ID
STK385490
SMILES O=C(Nc1nnc(s1)Cc1ccc(cc1)[N+](=O)[O-])Nc1ccc(c(c1)Cl)Cl
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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 C16H11Cl2N5O3S MW 424.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11Cl2N5O3S/c17-12-6-3-10(8-13(12)18)19-15(24)20-16-22-21-14(27-16)7-9-1-4-11(5-2-9)23(25)26/h1-6,8H,7H2,(H2,19,20,22,24)InChIKey
HQQAEIITSROWTQ-UHFFFAOYSA-NSynonyms
1(34DICHLOROPHENYL)3((2E)5(4NITROBENZYL)134THIADIAZOL2(3H)YLIDENE)UREA
1(34DICHLOROPHENYL)3(5((4NITROPHENYL)METHYL)134THIADIAZOL2YL)UREA
1(34DICHLOROPHENYL)3(5(4NITROBENZYL)134THIADIAZOL2YL)UREA
C1=CC(=CC=C1CC2=NN=C(S2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)(N+)(=O)(O)
InChI=1SC16H11Cl2N5O3Sc17126310(813(12)18)1915(24)2016222114(2716)791411(529)23(25)26h168H7H2(H219202224)
MFCD01824770
O=C(Nc1nnc(s1)Cc1ccc(cc1)(N+)(=O)(O))Nc1ccc(c(c1)Cl)Cl
ZINC17147782
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