Vitas-M small molecule compound
N-(3-chloro-4-methylphenyl)-3'-phenylspiro[cyclohexane-1,6'-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine]-7'-carboxamide
Catalog ID
STL381655
SMILES O=C(C1Sc2nnc(n2NC21CCCCC2)c1ccccc1)Nc1ccc(c(c1)Cl)C
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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 C23H24ClN5OS MW 454.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClN5OS/c1-15-10-11-17(14-18(15)24)25-21(30)19-23(12-6-3-7-13-23)28-29-20(26-27-22(29)31-19)16-8-4-2-5-9-16/h2,4-5,8-11,14,19,28H,3,6-7,12-13H2,1H3,(H,25,30)InChIKey
VKIUPLCZXXGOPW-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)C2C3(CCCCC3)NN4C(=NN=C4S2)C5=CC=CC=C5)Cl
InChI=1SC23H24ClN5OSc115101117(1418(15)24)2521(30)1923(126371323)282920(262722(29)3119)168425916h245811141928H3671213H21H3(H2530)
MFCD09426722
N(3chloro4methylphenyl)3phenylspiro(57dihydro(124)triazolo(34b)(134)thiadiazine61cyclohexane)7carboxamide
N(3chloro4methylphenyl)3phenylspiro(cyclohexane16(124)triazolo(34b)(134)thiadiazine)7carboxamide
ZINC000009189597
ZINC000009189598
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