Vitas-M small molecule compound
4-{(E)-[2-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
Catalog ID
STK823853
SMILES ClC(=CC1C(C1(C)C)C(=O)Oc1ccc(cc1)/C=c\1/sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2)Cl
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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 C27H21Cl2N3O5S MW 570.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21Cl2N3O5S/c1-27(2)16(12-21(28)29)22(27)25(34)36-15-9-7-14(8-10-15)11-20-24(33)32-26(38-20)30-23(31-32)19-13-35-17-5-3-4-6-18(17)37-19/h3-12,16,19,22H,13H2,1-2H3/b20-11+InChIKey
UVMCVSIYYJVHLQ-RGVLZGJSSA-NSynonyms
(4((E)(2(23dihydro14benzodioxin3yl)6oxo(13)thiazolo(32b)(124)triazol5ylidene)methyl)phenyl)3(22dichloroethenyl)22dimethylcyclopropane1carboxylate
4((E)(2(23dihydro14benzodioxin2yl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)phenyl3(22dichloroethenyl)22dimethylcyclopropanecarboxylate
CC1(C(C1C(=O)OC2=CC=C(C=C2)C=C3C(=O)N4C(=NC(=N4)C5COC6=CC=CC=C6O5)S3)C=C(Cl)Cl)C
ClC(=CC1C(C1(C)C)C(=O)Oc1ccc(cc1)C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2)Cl
InChI=1SC27H21Cl2N3O5Sc127(2)16(1221(28)29)22(27)25(34)36159714(81015)112024(33)3226(3820)3023(3132)19133517534618(17)3719h312161922H13H212H3b2011+
MFCD18075738
ZINC000101337679
ZINC000252438302
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