Vitas-M small molecule compound
5-{5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK674652
SMILES CCOc1ccc2c(c1)sc(n2)Sc1ccc(o1)C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3
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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 C32H28N2O3S2 MW 552.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N2O3S2/c1-4-36-19-10-12-22-26(15-19)38-31(34-22)39-27-14-13-25(37-27)30-29-21(16-32(2,3)17-24(29)35)28-20-8-6-5-7-18(20)9-11-23(28)33-30/h5-15,30,33H,4,16-17H2,1-3H3InChIKey
MLIULYNMOBXWNK-UHFFFAOYSA-NSynonyms
5(5((6ethoxy13benzothiazol2yl)sulfanyl)furan2yl)22dimethyl1356tetrahydrobenzo(a)phenanthridin4one
5(5((6ethoxy13benzothiazol2yl)sulfanyl)furan2yl)22dimethyl2356tetrahydrobenzo(a)phenanthridin4(1H)one
5(5((6ethoxybenzo(d)thiazol2yl)thio)furan2yl)22dimethyl2356tetrahydrobenzo(a)phenanthridin4(1H)one
CCOC1=CC2=C(C=C1)N=C(S2)SC3=CC=C(O3)C4C5=C(CC(CC5=O)(C)C)C6=C(N4)C=CC7=CC=CC=C76
InChI=1SC32H28N2O3S2c14361910122226(1519)3831(3422)3927141325(3727)302921(1632(23)1724(29)35)2820865718(20)91123(28)3330h5153033H41617H213H3
MFCD01204380
ZINC000033358390
ZINC000033358391
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