Vitas-M small molecule compound
4-butyl-N-[(2E)-5-[(2-methylbenzyl)sulfonyl]-1,3,4-thiadiazol-2(3H)-ylidene]cyclohexanecarboxamide
Catalog ID
STK615271
SMILES CCCCC1CCC(CC1)C(=O)/N=c/1\[nH]nc(s1)S(=O)(=O)Cc1ccccc1C
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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 C21H29N3O3S2 MW 435.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O3S2/c1-3-4-8-16-10-12-17(13-11-16)19(25)22-20-23-24-21(28-20)29(26,27)14-18-9-6-5-7-15(18)2/h5-7,9,16-17H,3-4,8,10-14H2,1-2H3,(H,22,23,25)InChIKey
HBTOUJJPBFABBV-UHFFFAOYSA-NSynonyms
895849-41-94butylN((2E)5((2methylbenzyl)sulfonyl)134thiadiazol2(3H)ylidene)cyclohexanecarboxamide
4butylN(5((2methylphenyl)methylsulfonyl)134thiadiazol2yl)cyclohexane1carboxamide
895849419
CCCCC1CCC(CC1)C(=O)N=c1(nH)nc(s1)S(=O)(=O)Cc1ccccc1C
CCCCC1CCC(CC1)C(=O)NC2=NN=C(S2)S(=O)(=O)CC3=CC=CC=C3C
InChI=1SC21H29N3O3S2c134816101217(131116)19(25)2220232421(2820)29(2627)1418965715(18)2h5791617H3481014H212H3(H222325)
MFCD08737356
ZINC000017113237
ZINC17113237
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