Vitas-M small molecule compound
2-(7,8-dimethoxy-1-oxophthalazin-2(1H)-yl)-N-[(2Z)-3,4,5,6,7,8-hexahydro-2H-cyclohepta[d][1,3]thiazol-2-ylidene]acetamide
Catalog ID
STL155809
SMILES COc1ccc2c(c1OC)c(=O)n(nc2)CC(=O)/N=c/1\sc2c([nH]1)CCCCC2
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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 C20H22N4O4S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S/c1-27-14-9-8-12-10-21-24(19(26)17(12)18(14)28-2)11-16(25)23-20-22-13-6-4-3-5-7-15(13)29-20/h8-10H,3-7,11H2,1-2H3,(H,22,23,25)InChIKey
VOWJTNUBSGSYRW-UHFFFAOYSA-NSynonyms
1310945-43-71310945437
2(78dimethoxy1oxophthalazin2(1H)yl)N((2Z)345678hexahydro2Hcyclohepta(d)(13)thiazol2ylidene)acetamide
2(78dimethoxy1oxophthalazin2yl)N(5678tetrahydro4Hcyclohepta(d)(13)thiazol2yl)acetamide
COC1=C(C2=C(C=C1)C=NN(C2=O)CC(=O)NC3=NC4=C(S3)CCCCC4)OC
COc1ccc2c(c1OC)c(=O)n(nc2)CC(=O)N=c1sc2c((nH)1)CCCCC2
InChI=1SC20H22N4O4Sc127149812102124(19(26)17(12)18(14)282)1116(25)232022136435715(13)2920h810H3711H212H3(H222325)
MFCD20757445
ZINC000071283593
ZINC71283593
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