Vitas-M small molecule compound
3-methyl-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-1-benzofuran-2-carboxamide
Catalog ID
STK020726
SMILES S=C(NC(=O)c1oc2c(c1C)cccc2)Nc1cccc(c1)c1nc2c(o1)ccc(c2)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 C25H19N3O3S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O3S/c1-14-10-11-21-19(12-14)27-24(31-21)16-6-5-7-17(13-16)26-25(32)28-23(29)22-15(2)18-8-3-4-9-20(18)30-22/h3-13H,1-2H3,(H2,26,28,29,32)InChIKey
MDJFMKYQDBAESM-UHFFFAOYSA-NSynonyms
1(3METHYLBENZOFURAN2CARBONYL)3(3(5METHYLBENZOOXAZOL2YL)PHENYL)THIOUREA
3METHYLN((3(5METHYL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)1BENZOFURAN2CARBOXAMIDE
CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=C(C5=CC=CC=C5O4)C
InChI=1SC25H19N3O3Sc11410112119(1214)2724(3121)1665717(1316)2625(32)2823(29)2215(2)18834920(18)3022h313H12H3(H226282932)
MFCD03228414
S=C(NC(=O)c1oc2c(c1C)cccc2)Nc1cccc(c1)c1nc2c(o1)ccc(c2)C
STK020726
ZINC000008986463
ZINC08986463
ZINC8986463
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