Vitas-M small molecule compound
methyl 4-({[(6-{[(4-methylphenyl)carbonyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK124701
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nc2c(s1)cc(cc2)NC(=O)c1ccc(cc1)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 C25H21N3O4S2 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O4S2/c1-15-3-5-16(6-4-15)23(30)27-19-11-12-20-21(13-19)34-25(28-20)33-14-22(29)26-18-9-7-17(8-10-18)24(31)32-2/h3-13H,14H2,1-2H3,(H,26,29)(H,27,30)InChIKey
XYWKXUVWFYMOIR-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)C(=O)OC
InChI=1SC25H21N3O4S2c1153516(6415)23(30)271911122021(1319)3425(2820)331422(29)26189717(81018)24(31)322h313H14H212H3(H2629)(H2730)
METHYL4((((6(((4METHYLPHENYL)CARBONYL)AMINO)13BENZOTHIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((((6((4METHYLBENZOYL)AMINO)13BENZOTHIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((6((4METHYLBENZOYL)AMINO)13BENZOTHIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD02792679
ZINC000002120830
ZINC02120830
ZINC2120830
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