Vitas-M small molecule compound
2-methyl-N-[(2E)-5-{2-oxo-2-[(2E)-2-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}hydrazinyl]ethyl}-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Catalog ID
STL037936
SMILES O=C(Cc1n[nH]/c(=N\C(=O)c2ccccc2C)/s1)N/N=C/c1cn(c2c1cccc2)CCOc1ccccc1
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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 C29H26N6O3S MW 538.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N6O3S/c1-20-9-5-6-12-23(20)28(37)31-29-34-33-27(39-29)17-26(36)32-30-18-21-19-35(25-14-8-7-13-24(21)25)15-16-38-22-10-3-2-4-11-22/h2-14,18-19H,15-17H2,1H3,(H,32,36)(H,31,34,37)/b30-18+InChIKey
HCAHRKIGYLTEIS-UXHLAJHPSA-NSynonyms
385421-20-52methylN((2E)5(2oxo2((2E)2((1(2phenoxyethyl)1Hindol3yl)methylidene)hydrazinyl)ethyl)134thiadiazol2(3H)ylidene)benzamide
2METHYLN(5(2OXO2((2E)2((1(2PHENOXYETHYL)INDOL3YL)METHYLIDENE)HYDRAZINYL)ETHYL)134THIADIAZOL2YL)BENZAMIDE
385421205
CC1=CC=CC=C1C(=O)NC2=NN=C(S2)CC(=O)NN=CC3=CN(C4=CC=CC=C43)CCOC5=CC=CC=C5
InChI=1SC29H26N6O3Sc1209561223(20)28(37)3129343327(3929)1726(36)323018211935(2514871324(21)25)15163822103241122h2141819H1517H21H3(H3236)(H313437)b3018+
MFCD03795593
O=C(Cc1n(nH)c(=NC(=O)c2ccccc2C)s1)NN=Cc1cn(c2c1cccc2)CCOc1ccccc1
ZINC000002320671
ZINC01827231
ZINC1827231
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