Vitas-M small molecule compound
1-{(4E)-4-[(5Z)-3-methyl-5-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl}-3-octadecylurea
Catalog ID
STK383500
SMILES CCCCCCCCCCCCCCCCCCNC(=O)NC1=NN(C(=O)/C/1=c\1/s/c(=c/2\sc3c(n2C)cccc3)/c(=O)n1C)c1ccccc1
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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 C40H54N6O3S2 MW 731.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H54N6O3S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-29-41-40(49)42-35-33(36(47)46(43-35)30-25-20-19-21-26-30)38-45(3)37(48)34(51-38)39-44(2)31-27-22-23-28-32(31)50-39/h19-23,25-28H,4-18,24,29H2,1-3H3,(H2,41,42,43,49)/b38-33+,39-34-InChIKey
BCNLFQNVEYJOOL-NGEYAPRZSA-NSynonyms
1((4E)4((5Z)3methyl5(3methyl13benzothiazol2(3H)ylidene)4oxo13thiazolidin2ylidene)5oxo1phenyl45dihydro1Hpyrazol3yl)3octadecylurea
1((4E)4((5Z)3METHYL5(3METHYL13BENZOTHIAZOL2YLIDENE)4OXO13THIAZOLIDIN2YLIDENE)5OXO1PHENYLPYRAZOL3YL)3OCTADECYLUREA
CCCCCCCCCCCCCCCCCCNC(=O)NC1=NN(C(=O)C1=c1sc(=c2sc3c(n2C)cccc3)c(=O)n1C)c1ccccc1
CCCCCCCCCCCCCCCCCCNC(=O)NC1=NN(C(=O)C1=C2N(C(=O)C(=C3N(C4=CC=CC=C4S3)C)S2)C)C5=CC=CC=C5
InChI=1SC40H54N6O3S2c145678910111213141516171824294140(49)423533(36(47)46(4335)30252019212630)3845(3)37(48)34(5138)3944(2)312722232832(31)5039h19232528H4182429H213H3(H241424349)b3833+3934
MFCD03648707
N(4(3METHYL5(3METHYL(3HYDROBENZOTHIAZOL2YLIDENE))4OXO(13THIAZOLIDIN2YLIDENE))5OXO1PHENYL(12DIAZOLIN3YL))(OCTADECYLAMINO)CARBOXAMIDE
ZINC000097964000
ZINC97964000
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