Vitas-M small molecule compound
4,4'-[(3,4-dimethoxyphenyl)methanediyl]bis[2-(1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one]
Catalog ID
STK018618
SMILES COc1cc(ccc1OC)C(c1c(C)[nH]n(c1=O)c1nc2c(s1)cccc2)c1c(C)[nH]n(c1=O)c1nc2c(s1)cccc2
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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 C31H26N6O4S2 MW 610.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N6O4S2/c1-16-25(28(38)36(34-16)30-32-19-9-5-7-11-23(19)42-30)27(18-13-14-21(40-3)22(15-18)41-4)26-17(2)35-37(29(26)39)31-33-20-10-6-8-12-24(20)43-31/h5-15,27,34-35H,1-4H3InChIKey
CZFMXWKLQDXIJJ-UHFFFAOYSA-NSynonyms
525581-24-22(13BENZOTHIAZOL2YL)4((2(13BENZOTHIAZOL2YL)5METHYL3OXO1HPYRAZOL4YL)(34DIMETHOXYPHENYL)METHYL)5METHYL1HPYRAZOL3ONE
44((34DIMETHOXYPHENYL)METHANEDIYL)BIS(2(13BENZOTHIAZOL2YL)5METHYL12DIHYDRO3HPYRAZOL3ONE)
44((34dimethoxyphenyl)methylene)bis(2(benzo(d)thiazol2yl)5methyl1Hpyrazol3(2H)one)
525581242
CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C(C4=CC(=C(C=C4)OC)OC)C5=C(NN(C5=O)C6=NC7=CC=CC=C7S6)C
COc1cc(ccc1OC)C(c1c(C)(nH)n(c1=O)c1nc2c(s1)cccc2)c1c(C)(nH)n(c1=O)c1nc2c(s1)cccc2
InChI=1SC31H26N6O4S2c11625(28(38)36(3416)3032199571123(19)4230)27(18131421(403)22(1518)414)2617(2)3537(29(26)39)31332010681224(20)4331h515273435H14H3
MFCD03194471
STK018618
ZINC000097948883
ZINC97948883
Check stock
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Check stock on Vitas-MAvailable files
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