Vitas-M small molecule compound

methyl 2-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}carbamothioyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate

Catalog ID
STK539655
SMILES COC(=O)c1c(scc1c1ccc(cc1)C)NC(=S)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl

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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 C25H19Cl2N3O4S2 MW 560.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19Cl2N3O4S2/c1-12-7-9-14(10-8-12)15-11-36-23(19(15)24(32)33-3)29-25(35)28-22(31)18-13(2)34-30-21(18)20-16(26)5-4-6-17(20)27/h4-11H,1-3H3,(H2,28,29,31,35)
InChIKey
WWQCIUNLFRDMCH-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=S)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)Cl)C
InChI=1SC25H19Cl2N3O4S2c1127914(10812)15113623(19(15)24(32)333)2925(35)2822(31)1813(2)343021(18)2016(26)54617(20)27h411H13H3(H228293135)
methyl2((((3(26dichlorophenyl)5methyl12oxazol4yl)carbonyl)carbamothioyl)amino)4(4methylphenyl)thiophene3carboxylate
METHYL2((3(26DICHLOROPHENYL)5METHYL12OXAZOLE4CARBONYL)CARBAMOTHIOYLAMINO)4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
methyl2(3(3(26dichlorophenyl)5methylisoxazole4carbonyl)thioureido)4(ptolyl)thiophene3carboxylate
MFCD01994088
ZINC000001897243
ZINC01897243
ZINC1897243

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Available files

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