Vitas-M small molecule compound
(2Z)-3-benzyl-2-{(2E)-[4-(2,4-dinitrophenoxy)benzylidene]hydrazinylidene}-6-methyl-2,3-dihydro-1,3-benzothiazole
Catalog ID
STK161802
SMILES Cc1ccc2c(c1)s/c(=N\N=C\c1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/n2Cc1ccccc1
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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 C28H21N5O5S MW 539.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N5O5S/c1-19-7-13-24-27(15-19)39-28(31(24)18-21-5-3-2-4-6-21)30-29-17-20-8-11-23(12-9-20)38-26-14-10-22(32(34)35)16-25(26)33(36)37/h2-17H,18H2,1H3/b29-17+,30-28-InChIKey
SORRTLFSJWYFCW-PAUNCFSGSA-NSynonyms
(2Z)3BENZYL2((2E)(4(24DINITROPHENOXY)BENZYLIDENE)HYDRAZINYLIDENE)6METHYL23DIHYDRO13BENZOTHIAZOLE
(E)3benzylN((E)(4(24dinitrophenoxy)phenyl)methylideneamino)6methyl13benzothiazol2imine
CC1=CC2=C(C=C1)N(C(=NN=CC3=CC=C(C=C3)OC4=C(C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O))S2)CC5=CC=CC=C5
Cc1ccc2c(c1)sc(=NN=Cc1ccc(cc1)Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))n2Cc1ccccc1
InChI=1SC28H21N5O5Sc1197132427(1519)3928(31(24)18215324621)3029172081123(12920)3826141022(32(34)35)1625(26)33(36)37h217H18H21H3b2917+3028
MFCD08675589
ZINC000101656514
ZINC101656512
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