Vitas-M small molecule compound
N-cyclohexyl-3-[(2E)-2-(3,4-dimethoxybenzylidene)-1-(1,1-dioxido-1,2-benzothiazol-3-yl)hydrazinyl]propanamide
Catalog ID
STK135582
SMILES COc1ccc(cc1OC)/C=N/N(C1=NS(=O)(=O)c2c1cccc2)CCC(=O)NC1CCCCC1
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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 C25H30N4O5S MW 498.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O5S/c1-33-21-13-12-18(16-22(21)34-2)17-26-29(15-14-24(30)27-19-8-4-3-5-9-19)25-20-10-6-7-11-23(20)35(31,32)28-25/h6-7,10-13,16-17,19H,3-5,8-9,14-15H2,1-2H3,(H,27,30)/b26-17+InChIKey
JVLNYLMOXQSNGZ-YZSQISJMSA-NSynonyms
COC1=C(C=C(C=C1)C=NN(CCC(=O)NC2CCCCC2)C3=NS(=O)(=O)C4=CC=CC=C43)OC
COc1ccc(cc1OC)C=NN(C1=NS(=O)(=O)c2c1cccc2)CCC(=O)NC1CCCCC1
InChI=1SC25H30N4O5Sc13321131218(1622(21)342)172629(151424(30)27198435919)252010671123(20)35(3132)2825h671013161719H35891415H212H3(H2730)b2617+
MFCD04083667
Ncyclohexyl3(((E)(34dimethoxyphenyl)methylideneamino)(11dioxo12benzothiazol3yl)amino)propanamide
NCYCLOHEXYL3((2E)2(34DIMETHOXYBENZYLIDENE)1(11DIOXIDO12BENZOTHIAZOL3YL)HYDRAZINYL)PROPANAMIDE
ZINC000009850998
ZINC35395261
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