Vitas-M small molecule compound
(2E)-N-{5-[(3-acetyl-2,4,6-trimethylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylprop-2-enamide
Catalog ID
STK090792
SMILES O=C(Nc1nnc(s1)SCc1c(C)cc(c(c1C)C(=O)C)C)/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 C23H23N3O2S2 MW 437.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O2S2/c1-14-12-15(2)21(17(4)27)16(3)19(14)13-29-23-26-25-22(30-23)24-20(28)11-10-18-8-6-5-7-9-18/h5-12H,13H2,1-4H3,(H,24,25,28)/b11-10+InChIKey
UGRWNGSQNDUKFD-ZHACJKMWSA-NSynonyms
535978-26-8(2E)N((2Z)5((3ACETYL246TRIMETHYLBENZYL)SULFANYL)134THIADIAZOL2(3H)YLIDENE)3PHENYLPROP2ENAMIDE
(2E)N(5((3ACETYL246TRIMETHYLBENZYL)SULFANYL)134THIADIAZOL2YL)3PHENYLPROP2ENAMIDE
(E)N(5((3ACETYL246TRIMETHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)3PHENYLPROP2ENAMIDE
CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=C(S2)NC(=O)C=CC3=CC=CC=C3)C
InChI=1SC23H23N3O2S2c1141215(2)21(17(4)27)16(3)19(14)132923262522(3023)2420(28)1110188657918h512H13H214H3(H242528)b1110+
MFCD03356330
N(5((3acetyl246trimethylbenzyl)thio)134thiadiazol2yl)cinnamamide
O=C(Nc1nnc(s1)SCc1c(C)cc(c(c1C)C(=O)C)C)C=Cc1ccccc1
STK090792
ZINC16994966
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