Vitas-M small molecule compound
2-({[1-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)quinazolin-4(1H)-one
Catalog ID
STK690188
SMILES O=c1nc(CSc2nnnn2Cc2ccc3c(c2)OCO3)[nH]c2c1cccc2
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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 C18H14N6O3S MW 394.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N6O3S/c25-17-12-3-1-2-4-13(12)19-16(20-17)9-28-18-21-22-23-24(18)8-11-5-6-14-15(7-11)27-10-26-14/h1-7H,8-10H2,(H,19,20,25)InChIKey
XQKMJXYHZOBJQY-UHFFFAOYSA-NSynonyms
2(((1(13benzodioxol5ylmethyl)1Htetrazol5yl)sulfanyl)methyl)quinazolin4(1H)one
2((1(13benzodioxol5ylmethyl)tetrazol5yl)sulfanylmethyl)1Hquinazolin4one
C1OC2=C(O1)C=C(C=C2)CN3C(=NN=N3)SCC4=NC(=O)C5=CC=CC=C5N4
InChI=1SC18H14N6O3Sc251712312413(12)1916(2017)9281821222324(18)811561415(711)27102614h17H810H2(H192025)
MFCD09063308
O=c1nc(CSc2nnnn2Cc2ccc3c(c2)OCO3)(nH)c2c1cccc2
ZINC000012360132
ZINC12360132
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