Vitas-M small molecule compound

3-(2-chlorophenyl)-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide

Catalog ID
STK091245
SMILES COc1ccc(cc1)Cc1nnc(s1)NC(=O)c1c(C)onc1c1ccccc1Cl

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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 C21H17ClN4O3S MW 440.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O3S/c1-12-18(19(26-29-12)15-5-3-4-6-16(15)22)20(27)23-21-25-24-17(30-21)11-13-7-9-14(28-2)10-8-13/h3-10H,11H2,1-2H3,(H,23,25,27)
InChIKey
HVCVIPXNDQSZKK-UHFFFAOYSA-N
Synonyms
590398-67-7
(3(2CHLOROPHENYL)5METHYLISOXAZOL4YL)N(5((4METHOXYPHENYL)METHYL)(134THIADIAZOL2YL))CARBOXAMIDE
3(2CHLOROPHENYL)N(5((4METHOXYPHENYL)METHYL)134THIADIAZOL2YL)5METHYL12OXAZOLE4CARBOXAMIDE
3(2CHLOROPHENYL)N(5(4METHOXYBENZYL)134THIADIAZOL2YL)5METHYL12OXAZOLE4CARBOXAMIDE
3(2CHLOROPHENYL)N(5(4METHOXYBENZYL)134THIADIAZOL2YL)5METHYL4ISOXAZOLECARBOXAMIDE
590398677
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=NN=C(S3)CC4=CC=C(C=C4)OC
COc1ccc(cc1)Cc1nnc(s1)NC(=O)c1c(C)onc1c1ccccc1Cl
InChI=1SC21H17ClN4O3Sc11218(19(262912)15534616(15)22)20(27)2321252417(3021)11137914(282)10813h310H11H212H3(H232527)
MFCD03351735
STK091245
ZINC000000986269
ZINC00986269
ZINC986269

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.