Vitas-M small molecule compound
(2E)-N-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Catalog ID
STK022682
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc1nnc(s1)NC(=O)/C=C/c1ccccc1
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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 C20H17N5O5S2 MW 471.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O5S2/c1-30-14-8-9-15(16(11-14)25(28)29)21-18(27)12-31-20-24-23-19(32-20)22-17(26)10-7-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,27)(H,22,23,26)/b10-7+InChIKey
FSJWJASXHNDBAE-JXMROGBWSA-NSynonyms
532423-63-5(2E)N(5((2((4METHOXY2NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)134THIADIAZOL2YL)3PHENYLPROP2ENAMIDE
(E)N(5(2(4METHOXY2NITROANILINO)2OXOETHYL)SULFANYL134THIADIAZOL2YL)3PHENYLPROP2ENAMIDE
532423635
COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C=CC3=CC=CC=C3)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)CSc1nnc(s1)NC(=O)C=Cc1ccccc1
InChI=1SC20H17N5O5S2c130148915(16(1114)25(28)29)2118(27)123120242319(3220)2217(26)107135324613h211H12H21H3(H2127)(H222326)b107+
MFCD03356386
N(5((2((4methoxy2nitrophenyl)amino)2oxoethyl)thio)134thiadiazol2yl)cinnamamide
STK022682
ZINC000017014818
ZINC17014818
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